K403-0099 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-0099 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-0099 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0099
ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-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

K403-0099

Molecular Formula

C23H23Cl2N5O4S2 (C23 H23 Cl2 N5 O4 S2)

Compound Name

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

IUPAC name

ethyl 2-{2-[(5-{[(24-dichlorophenyl)formamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(c(ccc(Cl)c3)c3Cl)=O)n2C)=O)sc2c1CCC2)=O

InChI

InChI=1S/C23H23Cl2N5O4S2/c1-3-34-22(33)19-14-5-4-6-16(14)36-21(19)27-18(31)11-35-23-29-28-17(30(23)2)10-26-20(32)13-8-7-12(24)9-15(13)25/h7-9H,3-6,10-11H2,1-2H3,(H,26,32)(H,27,31)

InChI Key

RPOZALFGGWJDEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.5

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

4.176

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-4.84

Polar Surface Area

94.696

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K403-0099 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K403-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0099?
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What is the minimum amount of K403-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0099
  • 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 K403-0099 available by request