L397-0453 Screening compound: 2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-isopropylphenyl)acetamide

L397-0453 Screening compound: 2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-isopropylphenyl)acetamide
L397-0453 Screening compound: 2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-isopropylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0453
2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(4-isopropylphenyl)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

L397-0453

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

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

IUPAC name

2-{8-butyl-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CCCCN(C(N1c2c3scc2)=NN(CC(Nc2ccc(C(C)C)cc2)=O)C1=O)C3=O

InChI

InChI=1S/C22H25N5O3S/c1-4-5-11-25-20(29)19-17(10-12-31-19)27-21(25)24-26(22(27)30)13-18(28)23-16-8-6-15(7-9-16)14(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,23,28)

InChI Key

NALVUEGTSGDGEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.04

Polar Surface Area

72.353

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L397-0453 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L397-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0453?
Check Price and Availability of L397-0453, 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 L397-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0453
  • 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 L397-0453 available by request