K891-0009 Screening compound: 3-amino-N~2~-(3-chloro-2-methylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0009 Screening compound: 3-amino-N~2~-(3-chloro-2-methylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0009 Screening compound: 3-amino-N~2~-(3-chloro-2-methylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0009
3-amino-N~2~-(3-chloro-2-methylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[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

K891-0009

Molecular Formula

C22H18ClN3O2S (C22 H18 ClN3 O2 S)

Compound Name

3-amino-N~2~-(3-chloro-2-methylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-N-(3-chloro-2-methylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraene-5-carboxamide

SMILES

Cc(c(NC(c(sc1c2c(-c3ccco3)c(CCC3)c3n1)c2N)=O)ccc1)c1Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-11-13(23)6-3-7-14(11)25-21(27)20-19(24)18-17(16-9-4-10-28-16)12-5-2-8-15(12)26-22(18)29-20/h3-4,6-7,9-10H,2,5,8,24H2,1H3,(H,25,27)

InChI Key

YZFJXIGPJCMWCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-6.09

Polar Surface Area

61.833

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K891-0009 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K891-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0009?
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What is the minimum amount of K891-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0009
  • 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 K891-0009 available by request