6031-1950 Screening compound: 2-({6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

6031-1950 Screening compound: 2-({6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}methylidene)-2,3-dihydro-1H-indene-1,3-dione
6031-1950 Screening compound: 2-({6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}methylidene)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1950
2-({6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

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

6031-1950

Molecular Formula

C28H18O3 (C28 H18 O3)

Compound Name

2-({6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}methylidene)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-({6-hydroxy-5-phenyl-[11'-biphenyl]-3-yl}methylidene)-23-dihydro-1H-indene-13-dione

SMILES

Oc(c(-c1ccccc1)cc(C=C(C(c1c2cccc1)=O)C2=O)c1)c1-c1ccccc1

InChI

InChI=1S/C28H18O3/c29-26-21-13-7-8-14-22(21)27(30)25(26)17-18-15-23(19-9-3-1-4-10-19)28(31)24(16-18)20-11-5-2-6-12-20/h1-17,31H

InChI Key

PSRMTVORJHBXBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.835

Distribution Coefficient, logD

6.835

Water Solubility, LogSw

-5.99

Polar Surface Area

41.482

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6031-1950 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6031-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1950?
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What is the minimum amount of 6031-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1950
  • 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 6031-1950 available by request