D068-0043 Screening compound: 3,4-dimethyl-1-(4-methylphenyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D068-0043 Screening compound: 3,4-dimethyl-1-(4-methylphenyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D068-0043 Screening compound: 3,4-dimethyl-1-(4-methylphenyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0043
3,4-dimethyl-1-(4-methylphenyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

D068-0043

Molecular Formula

C15H15N3O (C15 H15 N3 O)

Compound Name

3,4-dimethyl-1-(4-methylphenyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

34-dimethyl-1-(4-methylphenyl)-1H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C)=C1)c2NC1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C15H15N3O/c1-9-4-6-12(7-5-9)18-15-14(11(3)17-18)10(2)8-13(19)16-15/h4-8H,1-3H3,(H,16,19)

InChI Key

CXHMMBSVAPYKCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06623927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.93

Polar Surface Area

39.363

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D068-0043 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D068-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0043?
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What is the minimum amount of D068-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0043
  • 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 D068-0043 available by request