C999-1196 Screening compound: methyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

C999-1196 Screening compound: methyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate
C999-1196 Screening compound: methyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1196
methyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

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

C999-1196

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

methyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

IUPAC name

methyl 4-{[6-(4-methylphenyl)-5-oxo-5H6H7H-pyrrolo[34-b]pyridin-7-yl]amino}benzoate

SMILES

Cc(cc1)ccc1N(C(c1c2cccn1)Nc(cc1)ccc1C(OC)=O)C2=O

InChI

InChI=1S/C22H19N3O3/c1-14-5-11-17(12-6-14)25-20(19-18(21(25)26)4-3-13-23-19)24-16-9-7-15(8-10-16)22(27)28-2/h3-13,20,24H,1-2H3/t20-/m1/s1

InChI Key

USHWFVXVQQELET-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14810135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.29

Polar Surface Area

55.473

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C999-1196 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 C999-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1196?
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What is the minimum amount of C999-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1196
  • 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 C999-1196 available by request