L397-0407 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~-cyclohexylacetamide

L397-0407 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~-cyclohexylacetamide
L397-0407 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~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0407
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~-cyclohexylacetamide

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

L397-0407

Molecular Formula

C19H25N5O3S (C19 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~-cyclohexylacetamide

IUPAC name

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

SMILES

CCCCN(C(N1c2c3scc2)=NN(CC(NC2CCCCC2)=O)C1=O)C3=O

InChI

InChI=1S/C19H25N5O3S/c1-2-3-10-22-17(26)16-14(9-11-28-16)24-18(22)21-23(19(24)27)12-15(25)20-13-7-5-4-6-8-13/h9,11,13H,2-8,10,12H2,1H3,(H,20,25)

InChI Key

WPVSJYXAGRDGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.32

Polar Surface Area

73.400

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

L397-0407 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • 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
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L397-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0407?
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What is the minimum amount of L397-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0407
  • 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 L397-0407 available by request