1603-0543 Screening compound: [2'-(4-methylbenzoyl)-[1,1'-binaphthalen]-2-yl](4-methylphenyl)methanone

1603-0543 Screening compound: [2'-(4-methylbenzoyl)-[1,1'-binaphthalen]-2-yl](4-methylphenyl)methanone
1603-0543 Screening compound: [2'-(4-methylbenzoyl)-[1,1'-binaphthalen]-2-yl](4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1603-0543
[2'-(4-methylbenzoyl)-[1,1'-binaphthalen]-2-yl](4-methylphenyl)methanone

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

1603-0543

Molecular Formula

C36H26O2 (C36 H26 O2)

Compound Name

[2'-(4-methylbenzoyl)-[1,1'-binaphthalen]-2-yl](4-methylphenyl)methanone

IUPAC name

[2'-(4-methylbenzoyl)-[11'-binaphthalen]-2-yl](4-methylphenyl)methanone

SMILES

Cc(cc1)ccc1C(c(ccc1ccccc11)c1-c(c1ccccc1cc1)c1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C36H26O2/c1-23-11-15-27(16-12-23)35(37)31-21-19-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)20-22-32(34)36(38)28-17-13-24(2)14-18-28/h3-22H,1-2H3

InChI Key

KVKOCSGIMZGTFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.636

Distribution Coefficient, logD

9.636

Water Solubility, LogSw

-6.99

Polar Surface Area

26.358

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1603-0543 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 1603-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1603-0543?
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What is the minimum amount of 1603-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1603-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1603-0543
  • 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 1603-0543 available by request