K891-0142 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0142 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0142 Screening compound: 3-amino-4-(4-methylphenyl)-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 K891-0142
3-amino-4-(4-methylphenyl)-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

K891-0142

Molecular Formula

C24H20N4O3S (C24 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1c(c(N)c(C(Nc(cc2)ccc2[N+]([O-])=O)=O)s2)c2nc2c1CCC2

InChI

InChI=1S/C24H20N4O3S/c1-13-5-7-14(8-6-13)19-17-3-2-4-18(17)27-24-20(19)21(25)22(32-24)23(29)26-15-9-11-16(12-10-15)28(30)31/h5-12H,2-4,25H2,1H3,(H,26,29)

InChI Key

DEGZFHKJEPKEKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

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

5.783

Distribution Coefficient, logD

5.779

Water Solubility, LogSw

-5.79

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

16.70

References: we are preparing a list of scientific research reports with K891-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0142?
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What is the minimum amount of K891-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0142
  • 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 K891-0142 available by request