C612-1013 Screening compound: 7-[(2,3-dimethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-1013 Screening compound: 7-[(2,3-dimethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-1013 Screening compound: 7-[(2,3-dimethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1013
7-[(2,3-dimethylphenyl)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

C612-1013

Molecular Formula

C22H21N3O (C22 H21 N3 O)

Compound Name

7-[(2,3-dimethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(23-dimethylphenyl)amino]-6-(4-methylphenyl)-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

Cc(cc1)ccc1N(C(c1c2cccn1)Nc1c(C)c(C)ccc1)C2=O

InChI

InChI=1S/C22H21N3O/c1-14-9-11-17(12-10-14)25-21(20-18(22(25)26)7-5-13-23-20)24-19-8-4-6-15(2)16(19)3/h4-13,21,24H,1-3H3/t21-/m1/s1

InChI Key

PVQFNRPLIUNSIH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14775846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

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

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.48

Polar Surface Area

33.602

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C612-1013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C612-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1013?
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What is the minimum amount of C612-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1013
  • 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 C612-1013 available by request