C999-1184 Screening compound: 7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C999-1184 Screening compound: 7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C999-1184 Screening compound: 7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1184
7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-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

C999-1184

Molecular Formula

C21H18FN3O (C21 H18 FN3 O)

Compound Name

7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(3-fluoro-4-methylphenyl)amino]-6-(4-methylphenyl)-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

Cc(cc1)ccc1N(C(c1ncccc11)Nc2cc(F)c(C)cc2)C1=O

InChI

InChI=1S/C21H18FN3O/c1-13-5-9-16(10-6-13)25-20(19-17(21(25)26)4-3-11-23-19)24-15-8-7-14(2)18(22)12-15/h3-12,20,24H,1-2H3/t20-/m0/s1

InChI Key

AATQVIVCAAMZCV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14810127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.38

Polar Surface Area

34.299

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C999-1184 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 C999-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1184?
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What is the minimum amount of C999-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1184
  • 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 C999-1184 available by request