C999-1176 Screening compound: ethyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

C999-1176 Screening compound: ethyl 4-{[6-(4-methylphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate
C999-1176 Screening compound: ethyl 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 C999-1176
ethyl 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

C999-1176

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c(nccc1)c1C1=O)N1c1ccc(C)cc1)=O

InChI

InChI=1S/C23H21N3O3/c1-3-29-23(28)16-8-10-17(11-9-16)25-21-20-19(5-4-14-24-20)22(27)26(21)18-12-6-15(2)7-13-18/h4-14,21,25H,3H2,1-2H3/t21-/m1/s1

InChI Key

AHGCXUQZSXVCSJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14810119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.32

Polar Surface Area

55.053

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C999-1176 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 C999-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1176?
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What is the minimum amount of C999-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1176
  • 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 C999-1176 available by request