K403-0073 Screening compound: 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate

K403-0073 Screening compound: 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
K403-0073 Screening compound: 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-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 K403-0073
2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-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

K403-0073

Molecular Formula

C30H30N6O8S2 (C30 H30 N6 O8 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(c(cc3)ccc3[N+]([O-])=O)=O)n2Cc2ccccc2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C30H30N6O8S2/c1-4-43-28(39)24-18(3)25(29(40)44-5-2)46-27(24)32-23(37)17-45-30-34-33-22(35(30)16-19-9-7-6-8-10-19)15-31-26(38)20-11-13-21(14-12-20)36(41)42/h6-14H,4-5,15-17H2,1-3H3,(H,31,38)(H,32,37)

InChI Key

OQJMEUJUCDUIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04410543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.74

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-4.36

Polar Surface Area

147.463

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K403-0073 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K403-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0073?
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What is the minimum amount of K403-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0073
  • 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 K403-0073 available by request