2331-0526 Screening compound: 3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene

2331-0526 Screening compound: 3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene
2331-0526 Screening compound: 3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene alternative view

Chemical Structure Depiction of ChemDiv screening compound 2331-0526
3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene

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

2331-0526

Molecular Formula

C32H24OS (C32 H24 OS)

Compound Name

3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene

IUPAC name

3-{4-[(4-methylphenyl)sulfanyl]phenyl}-3-phenyl-3H-benzo[f]chromene

SMILES

Cc(cc1)ccc1Sc1ccc(C(C=C2)(c3ccccc3)Oc3c2c2ccccc2cc3)cc1

InChI

InChI=1S/C32H24OS/c1-23-11-16-27(17-12-23)34-28-18-14-26(15-19-28)32(25-8-3-2-4-9-25)22-21-30-29-10-6-5-7-24(29)13-20-31(30)33-32/h2-22H,1H3/t32-/m0/s1

InChI Key

MMOVWDJIUVXKMX-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD01817578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

9.367

Distribution Coefficient, logD

9.367

Water Solubility, LogSw

-7.16

Polar Surface Area

5.389

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

2331-0526 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 2331-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2331-0526?
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What is the minimum amount of 2331-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2331-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2331-0526
  • 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 2331-0526 available by request