K403-0132 Screening compound: 2,4-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

K403-0132 Screening compound: 2,4-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
K403-0132 Screening compound: 2,4-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0132
2,4-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

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

K403-0132

Molecular Formula

C28H34N6O8S2 (C28 H34 N6 O8 S2)

Compound Name

2,4-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-{2-[(4-butyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-24-dicarboxylate

SMILES

CCCCn1c(SCC(Nc2c(C(OCC)=O)c(C)c(C(OCC)=O)s2)=O)nnc1CNC(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C28H34N6O8S2/c1-6-9-12-33-20(14-29-24(36)18-11-10-16(4)19(13-18)34(39)40)31-32-28(33)43-15-21(35)30-25-22(26(37)41-7-2)17(5)23(44-25)27(38)42-8-3/h10-11,13H,6-9,12,14-15H2,1-5H3,(H,29,36)(H,30,35)

InChI Key

OTWKBHXWELVQED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.75

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-4.31

Polar Surface Area

147.412

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K403-0132 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K403-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0132?
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What is the minimum amount of K403-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0132
  • 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 K403-0132 available by request