K403-0924 Screening compound: ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-0924 Screening compound: ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-0924 Screening compound: ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0924
ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

K403-0924

Molecular Formula

C24H25ClFN5O4S2 (C24 H25 ClFN5 O4 S2)

Compound Name

ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(5-{[(2-chloro-6-fluorophenyl)formamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]propanamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c(c(F)ccc3)c3Cl)=O)n2C)=O)sc2c1CCC2)=O

InChI

InChI=1S/C24H25ClFN5O4S2/c1-4-35-23(34)18-13-7-5-10-16(13)37-22(18)28-20(32)12(2)36-24-30-29-17(31(24)3)11-27-21(33)19-14(25)8-6-9-15(19)26/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,27,33)(H,28,32)/t12-/m0/s1

InChI Key

ADDWTSWVZWCMDU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04411297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

1.403

Water Solubility, LogSw

-4.61

Polar Surface Area

94.909

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

K403-0924 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K403-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0924?
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What is the minimum amount of K403-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0924
  • 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 K403-0924 available by request