C612-0610 Screening compound: 7-[(5-chloro-2-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-0610 Screening compound: 7-[(5-chloro-2-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-0610 Screening compound: 7-[(5-chloro-2-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0610
7-[(5-chloro-2-methoxyphenyl)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

C612-0610

Molecular Formula

C22H20ClN3O3 (C22 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(C(c2ncccc22)Nc(cc(cc3)Cl)c3OC)C2=O)cc1

InChI

InChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,21,25H,13H2,1-2H3/t21-/m0/s1

InChI Key

CQWHSRNYGGHZSM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14775698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.56

Polar Surface Area

49.387

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C612-0610 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 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 C612-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0610?
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What is the minimum amount of C612-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0610
  • 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 C612-0610 available by request