D292-0029 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D292-0029 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D292-0029 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D292-0029
1-(4,6-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-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

D292-0029

Molecular Formula

C27H26FN5O3 (C27 H26 FN5 O3)

Compound Name

1-(4,6-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(46-dimethylpyrimidin-2-yl)-4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)cc(OC)c2OCc(cc2)ccc2F)c2NC1=O)nn2-c1nc(C)cc(C)n1

InChI

InChI=1S/C27H26FN5O3/c1-15-11-16(2)30-27(29-15)33-26-25(17(3)32-33)21(13-24(34)31-26)19-7-10-22(23(12-19)35-4)36-14-18-5-8-20(28)9-6-18/h5-12,21H,13-14H2,1-4H3,(H,31,34)/t21-/m1/s1

InChI Key

GGRSUKLKXDLTBD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14816818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-3.81

Polar Surface Area

71.147

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D292-0029 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D292-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D292-0029?
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What is the minimum amount of D292-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D292-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D292-0029
  • 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 D292-0029 available by request