C999-1170 Screening compound: 6-(4-methylphenyl)-7-[(3-nitrophenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C999-1170 Screening compound: 6-(4-methylphenyl)-7-[(3-nitrophenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C999-1170 Screening compound: 6-(4-methylphenyl)-7-[(3-nitrophenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1170
6-(4-methylphenyl)-7-[(3-nitrophenyl)amino]-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

C999-1170

Molecular Formula

C20H16N4O3 (C20 H16 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(c1ncccc11)Nc2cccc([N+]([O-])=O)c2)C1=O

InChI

InChI=1S/C20H16N4O3/c1-13-7-9-15(10-8-13)23-19(18-17(20(23)25)6-3-11-21-18)22-14-4-2-5-16(12-14)24(26)27/h2-12,19,22H,1H3/t19-/m0/s1

InChI Key

UPGFCEGNOYISGG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14810113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.03

Polar Surface Area

67.681

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C999-1170 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 C999-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1170?
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What is the minimum amount of C999-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1170
  • 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 C999-1170 available by request