K403-1308 Screening compound: ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K403-1308 Screening compound: ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K403-1308 Screening compound: ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-1308
ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-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

K403-1308

Molecular Formula

C30H33N5O4S3 (C30 H33 N5 O4 S3)

Compound Name

ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[4-(2-phenylethyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-124-triazol-3-yl]sulfanyl}propanamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c3cccs3)=O)n2CCc2ccccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C30H33N5O4S3/c1-3-39-29(38)25-21-12-7-8-13-22(21)42-28(25)32-26(36)19(2)41-30-34-33-24(18-31-27(37)23-14-9-17-40-23)35(30)16-15-20-10-5-4-6-11-20/h4-6,9-11,14,17,19H,3,7-8,12-13,15-16,18H2,1-2H3,(H,31,37)(H,32,36)/t19-/m0/s1

InChI Key

KWSQOSALZVDYPO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04411629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.442

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-5.33

Polar Surface Area

94.458

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

K403-1308 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 K403-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-1308?
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What is the minimum amount of K403-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-1308
  • 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 K403-1308 available by request