C612-0615 Screening compound: 7-[(5-chloro-2,4-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-0615 Screening compound: 7-[(5-chloro-2,4-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-0615 Screening compound: 7-[(5-chloro-2,4-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0615
7-[(5-chloro-2,4-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)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

C612-0615

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

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

IUPAC name

7-[(5-chloro-24-dimethoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

COc1ccc(CN(C(c2ncccc22)Nc(c(OC)c3)cc(Cl)c3OC)C2=O)cc1

InChI

InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,22,26H,13H2,1-3H3/t22-/m0/s1

InChI Key

ANPZRIIPBPENIC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14775700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.43

Polar Surface Area

57.018

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C612-0615 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C612-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0615?
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What is the minimum amount of C612-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0615
  • 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 C612-0615 available by request