K891-0012 Screening compound: 3-amino-N~2~-(2-ethylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0012 Screening compound: 3-amino-N~2~-(2-ethylphenyl)-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0012 Screening compound: 3-amino-N~2~-(2-ethylphenyl)-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 K891-0012
3-amino-N~2~-(2-ethylphenyl)-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

K891-0012

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(c(sc1nc(CCC2)c2c(-c2ccco2)c11)c1N)=O

InChI

InChI=1S/C23H21N3O2S/c1-2-13-7-3-4-9-15(13)25-22(27)21-20(24)19-18(17-11-6-12-28-17)14-8-5-10-16(14)26-23(19)29-21/h3-4,6-7,9,11-12H,2,5,8,10,24H2,1H3,(H,25,27)

InChI Key

HYJFSVDAVPVFKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.17

Polar Surface Area

61.833

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K891-0012 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with K891-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0012?
Check Price and Availability of K891-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K891-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0012
  • 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 K891-0012 available by request