L397-0391 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0391 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0391 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0391
N~1~-(1,3-benzodioxol-5-yl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L397-0391

Molecular Formula

C20H19N5O5S (C20 H19 N5 O5 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[8-(2-methylpropyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetamide

SMILES

CC(C)CN(C(N1c2c3scc2)=NN(CC(Nc(cc2)cc4c2OCO4)=O)C1=O)C3=O

InChI

InChI=1S/C20H19N5O5S/c1-11(2)8-23-18(27)17-13(5-6-31-17)25-19(23)22-24(20(25)28)9-16(26)21-12-3-4-14-15(7-12)30-10-29-14/h3-7,11H,8-10H2,1-2H3,(H,21,26)

InChI Key

AOJSLEMWLJBBAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.44

Polar Surface Area

89.490

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L397-0391 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Proteases
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L397-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0391?
Check Price and Availability of L397-0391, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L397-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0391
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L397-0391 available by request