K891-0112 Screening compound: 3-amino-4-(4-chlorophenyl)-N~2~-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0112 Screening compound: 3-amino-4-(4-chlorophenyl)-N~2~-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0112 Screening compound: 3-amino-4-(4-chlorophenyl)-N~2~-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0112
3-amino-4-(4-chlorophenyl)-N~2~-(4-nitrophenyl)-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

K891-0112

Molecular Formula

C23H17ClN4O3S (C23 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

6-amino-8-(4-chlorophenyl)-N-(4-nitrophenyl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-1(9)257-tetraene-5-carboxamide

SMILES

Nc1c(C(Nc(cc2)ccc2[N+]([O-])=O)=O)sc2nc(CCC3)c3c(-c(cc3)ccc3Cl)c12

InChI

InChI=1S/C23H17ClN4O3S/c24-13-6-4-12(5-7-13)18-16-2-1-3-17(16)27-23-19(18)20(25)21(32-23)22(29)26-14-8-10-15(11-9-14)28(30)31/h4-11H,1-3,25H2,(H,26,29)

InChI Key

FMZBTVJCXYPTGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.954

Distribution Coefficient, logD

5.950

Water Solubility, LogSw

-6.49

Polar Surface Area

87.334

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with K891-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0112?
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What is the minimum amount of K891-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0112
  • 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 K891-0112 available by request