C612-1151 Screening compound: 7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-1151 Screening compound: 7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-1151 Screening compound: 7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1151
7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

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

C612-1151

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(2-chloro-4-nitrophenyl)amino]-6-[(thiophen-2-yl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

[O-][N+](c(cc1)cc(Cl)c1NC(c1ncccc11)N(Cc2cccs2)C1=O)=O

InChI

InChI=1S/C18H13ClN4O3S/c19-14-9-11(23(25)26)5-6-15(14)21-17-16-13(4-1-7-20-16)18(24)22(17)10-12-3-2-8-27-12/h1-9,17,21H,10H2/t17-/m0/s1

InChI Key

BSKZLSYVPFXOTC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14775906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.47

Polar Surface Area

68.613

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

C612-1151 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C612-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1151?
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What is the minimum amount of C612-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1151
  • 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 C612-1151 available by request