D292-0038 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D292-0038 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D292-0038 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D292-0038
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,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

D292-0038

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(46-dimethylpyrimidin-2-yl)-3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)ccc2OCC#C)c2NC1=O)nn2-c1nc(C)cc(C)n1

InChI

InChI=1S/C22H21N5O2/c1-5-10-29-17-8-6-16(7-9-17)18-12-19(28)25-21-20(18)15(4)26-27(21)22-23-13(2)11-14(3)24-22/h1,6-9,11,18H,10,12H2,2-4H3,(H,25,28)/t18-/m0/s1

InChI Key

NMDGJMYTCMZYQI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09846790

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.402

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.95

Polar Surface Area

63.620

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D292-0038 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D292-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D292-0038?
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What is the minimum amount of D292-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D292-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D292-0038
  • 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 D292-0038 available by request