K891-0314 Screening compound: 3-amino-4-(2-furyl)-N~2~-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0314 Screening compound: 3-amino-4-(2-furyl)-N~2~-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0314 Screening compound: 3-amino-4-(2-furyl)-N~2~-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0314
3-amino-4-(2-furyl)-N~2~-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

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

K891-0314

Molecular Formula

C24H23N3O3S (C24 H23 N3 O3 S)

Compound Name

3-amino-4-(2-furyl)-N~2~-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-8-(furan-2-yl)-N-(3-methoxyphenyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraene-5-carboxamide

SMILES

COc1cccc(NC(c(sc2nc(CCCCC3)c3c(-c3ccco3)c22)c2N)=O)c1

InChI

InChI=1S/C24H23N3O3S/c1-29-15-8-5-7-14(13-15)26-23(28)22-21(25)20-19(18-11-6-12-30-18)16-9-3-2-4-10-17(16)27-24(20)31-22/h5-8,11-13H,2-4,9-10,25H2,1H3,(H,26,28)

InChI Key

GBYCHDQQONXNFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03662469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.49

Polar Surface Area

70.039

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K891-0314 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K891-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0314?
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What is the minimum amount of K891-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0314
  • 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 K891-0314 available by request