K891-0001 Screening compound: [3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone

K891-0001 Screening compound: [3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone
K891-0001 Screening compound: [3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0001
[3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone

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

K891-0001

Molecular Formula

C21H16N2O2S (C21 H16 N2 O2 S)

Compound Name

[3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](phenyl)methanone

IUPAC name

5-benzoyl-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraen-6-amine

SMILES

Nc1c(C(c2ccccc2)=O)sc2nc(CCC3)c3c(-c3ccco3)c12

InChI

InChI=1S/C21H16N2O2S/c22-18-17-16(15-10-5-11-25-15)13-8-4-9-14(13)23-21(17)26-20(18)19(24)12-6-2-1-3-7-12/h1-3,5-7,10-11H,4,8-9,22H2

InChI Key

VQILJQADCCOHEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.709

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-5.11

Polar Surface Area

52.906

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K891-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0001?
Check Price and Availability of K891-0001, 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 K891-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0001
  • 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 K891-0001 available by request