K403-0905 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

K403-0905 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
K403-0905 Screening compound: ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-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 K403-0905
ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-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

K403-0905

Molecular Formula

C26H29Cl2N5O4S2 (C26 H29 Cl2 N5 O4 S2)

Compound Name

ethyl 2-{2-[(5-{[(2,4-dichlorophenyl)formamido]methyl}-4-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-[(5-{[(24-dichlorophenyl)formamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]propanamido}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(CNC(c(ccc(Cl)c3)c3Cl)=O)n2C)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C26H29Cl2N5O4S2/c1-4-37-25(36)21-17-8-6-5-7-9-19(17)39-24(21)30-22(34)14(2)38-26-32-31-20(33(26)3)13-29-23(35)16-11-10-15(27)12-18(16)28/h10-12,14H,4-9,13H2,1-3H3,(H,29,35)(H,30,34)/t14-/m0/s1

InChI Key

LNNXFHIFSCDDBX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04411279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-6.13

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

42.30

K403-0905 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 K403-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0905?
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What is the minimum amount of K403-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0905
  • 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 K403-0905 available by request