C612-0673 Screening compound: 7-[(3-chloro-4-fluorophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-0673 Screening compound: 7-[(3-chloro-4-fluorophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-0673 Screening compound: 7-[(3-chloro-4-fluorophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0673
7-[(3-chloro-4-fluorophenyl)amino]-6-[(4-fluorophenyl)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

C612-0673

Molecular Formula

C20H14ClF2N3O (C20 H14 ClF2 N3 O)

Compound Name

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

IUPAC name

7-[(3-chloro-4-fluorophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

O=C(c1cccnc11)N(Cc(cc2)ccc2F)C1Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C20H14ClF2N3O/c21-16-10-14(7-8-17(16)23)25-19-18-15(2-1-9-24-18)20(27)26(19)11-12-3-5-13(22)6-4-12/h1-10,19,25H,11H2/t19-/m0/s1

InChI Key

XNINVPFWGQFKRD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14775727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.54

Polar Surface Area

34.911

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C612-0673 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C612-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0673?
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What is the minimum amount of C612-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0673
  • 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 C612-0673 available by request