P838-0061 Screening compound: 1-benzyl-5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

P838-0061 Screening compound: 1-benzyl-5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
P838-0061 Screening compound: 1-benzyl-5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P838-0061
1-benzyl-5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-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

P838-0061

Molecular Formula

C23H19N5O3 (C23 H19 N5 O3)

Compound Name

1-benzyl-5-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-benzyl-5-[3-(4-ethylphenyl)-124-oxadiazol-5-yl]-4-hydroxy-1H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCc(cc1)ccc1-c1noc(C(C(Nc2c3cnn2Cc2ccccc2)=O)=C3O)n1

InChI

InChI=1S/C23H19N5O3/c1-2-14-8-10-16(11-9-14)20-25-23(31-27-20)18-19(29)17-12-24-28(21(17)26-22(18)30)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,26,29,30)

InChI Key

FYZHNHWDXKFYKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

-0.442

Water Solubility, LogSw

-4.01

Polar Surface Area

85.407

Acid Dissociation Constant (pKa)

2.82

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P838-0061 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P838-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P838-0061?
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What is the minimum amount of P838-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P838-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P838-0061
  • 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 P838-0061 available by request