C612-0866 Screening compound: 7-[(3-chloro-4-methoxyphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-0866 Screening compound: 7-[(3-chloro-4-methoxyphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-0866 Screening compound: 7-[(3-chloro-4-methoxyphenyl)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 C612-0866
7-[(3-chloro-4-methoxyphenyl)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

C612-0866

Molecular Formula

C19H16ClN3O2S (C19 H16 ClN3 O2 S)

Compound Name

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

IUPAC name

7-[(3-chloro-4-methoxyphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

COc(ccc(NC(c1ncccc11)N(Cc2cccs2)C1=O)c1)c1Cl

InChI

InChI=1S/C19H16ClN3O2S/c1-25-16-7-6-12(10-15(16)20)22-18-17-14(5-2-8-21-17)19(24)23(18)11-13-4-3-9-26-13/h2-10,18,22H,11H2,1H3/t18-/m0/s1

InChI Key

BXCXGMDPNGAKIH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14775792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.32

Polar Surface Area

43.560

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

C612-0866 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0866?
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What is the minimum amount of C612-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0866
  • 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 C612-0866 available by request