C999-1179 Screening compound: 7-[(3-acetylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C999-1179 Screening compound: 7-[(3-acetylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C999-1179 Screening compound: 7-[(3-acetylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1179
7-[(3-acetylphenyl)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

C999-1179

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(c(nccc2)c2C2=O)N2c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C22H19N3O2/c1-14-8-10-18(11-9-14)25-21(20-19(22(25)27)7-4-12-23-20)24-17-6-3-5-16(13-17)15(2)26/h3-13,21,24H,1-2H3/t21-/m1/s1

InChI Key

QDHPZOJCUBPEKV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14810122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.76

Polar Surface Area

48.126

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C999-1179 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C999-1179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1179?
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What is the minimum amount of C999-1179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1179
  • 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 C999-1179 available by request