K403-0936 Screening compound: ethyl 2-{2-[(5-{[(3,5-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

K403-0936 Screening compound: ethyl 2-{2-[(5-{[(3,5-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
K403-0936 Screening compound: ethyl 2-{2-[(5-{[(3,5-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-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 K403-0936
ethyl 2-{2-[(5-{[(3,5-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-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

K403-0936

Molecular Formula

C33H37N5O7S2 (C33 H37 N5 O7 S2)

Compound Name

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

IUPAC name

ethyl 2-{2-[(5-{[(35-dimethoxyphenyl)formamido]methyl}-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl)sulfanyl]propanamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c3cc(OC)cc(OC)c3)=O)n2-c(cc2)ccc2OCC)=O)sc2c1CCC2)=O

InChI

InChI=1S/C33H37N5O7S2/c1-6-44-22-13-11-21(12-14-22)38-27(18-34-30(40)20-15-23(42-4)17-24(16-20)43-5)36-37-33(38)46-19(3)29(39)35-31-28(32(41)45-7-2)25-9-8-10-26(25)47-31/h11-17,19H,6-10,18H2,1-5H3,(H,34,40)(H,35,39)/t19-/m0/s1

InChI Key

YRYSKCRHFQYDRO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04411308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

679.82

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-5.39

Polar Surface Area

116.782

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

K403-0936 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K403-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0936?
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What is the minimum amount of K403-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0936
  • 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 K403-0936 available by request