C999-1166 Screening compound: 7-[(4-ethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C999-1166 Screening compound: 7-[(4-ethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C999-1166 Screening compound: 7-[(4-ethylphenyl)amino]-6-(4-methylphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1166
7-[(4-ethylphenyl)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

C999-1166

Molecular Formula

C22H21N3O (C22 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H21N3O/c1-3-16-8-10-17(11-9-16)24-21-20-19(5-4-14-23-20)22(26)25(21)18-12-6-15(2)7-13-18/h4-14,21,24H,3H2,1-2H3/t21-/m1/s1

InChI Key

XMIMNGKUZLJGPQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14810111

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.51

Polar Surface Area

34.299

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C999-1166 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C999-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1166?
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What is the minimum amount of C999-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1166
  • 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 C999-1166 available by request