8014-1496 Screening compound: 3-(4-hydroxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one

8014-1496 Screening compound: 3-(4-hydroxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one
8014-1496 Screening compound: 3-(4-hydroxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1496
3-(4-hydroxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-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

8014-1496

Molecular Formula

C19H16N2O2 (C19 H16 N2 O2)

Compound Name

3-(4-hydroxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one

IUPAC name

3-(4-hydroxyphenyl)-2-phenyl-4567-tetrahydro-2H-indazol-4-one

SMILES

Oc(cc1)ccc1-c(n(-c1ccccc1)nc1CCC2)c1C2=O

InChI

InChI=1S/C19H16N2O2/c22-15-11-9-13(10-12-15)19-18-16(7-4-8-17(18)23)20-21(19)14-5-2-1-3-6-14/h1-3,5-6,9-12,22H,4,7-8H2

InChI Key

ZKGCRBFARQBFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.52

Polar Surface Area

45.124

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8014-1496 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8014-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1496?
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What is the minimum amount of 8014-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1496
  • 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 8014-1496 available by request