K403-1293 Screening compound: ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

K403-1293 Screening compound: ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
K403-1293 Screening compound: ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-1293
ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4H,5H,6H,7H,8H-cyclohepta[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

K403-1293

Molecular Formula

C27H30F3N5O4S2 (C27 H30 F3 N5 O4 S2)

Compound Name

ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[4-methyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-124-triazol-3-yl]sulfanyl}propanamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c3c(C(F)(F)F)cccc3)=O)n2C)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C27H30F3N5O4S2/c1-4-39-25(38)21-17-11-6-5-7-13-19(17)41-24(21)32-22(36)15(2)40-26-34-33-20(35(26)3)14-31-23(37)16-10-8-9-12-18(16)27(28,29)30/h8-10,12,15H,4-7,11,13-14H2,1-3H3,(H,31,37)(H,32,36)/t15-/m0/s1

InChI Key

REWMEVQOAHZMCW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04411614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-4.53

Polar Surface Area

94.874

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

K403-1293 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K403-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-1293?
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What is the minimum amount of K403-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-1293
  • 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 K403-1293 available by request