C176-0154 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-1,3-oxazole

C176-0154 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-1,3-oxazole
C176-0154 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0154
4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-1,3-oxazole

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

C176-0154

Molecular Formula

C17H14BrNO3S2 (C17 H14 BrNO3 S2)

Compound Name

4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-1,3-oxazole

IUPAC name

4-(4-bromobenzenesulfonyl)-2-(4-methylphenyl)-5-(methylsulfanyl)-13-oxazole

SMILES

Cc(cc1)ccc1-c(o1)nc(S(c(cc2)ccc2Br)(=O)=O)c1SC

InChI

InChI=1S/C17H14BrNO3S2/c1-11-3-5-12(6-4-11)15-19-16(17(22-15)23-2)24(20,21)14-9-7-13(18)8-10-14/h3-10H,1-2H3

InChI Key

DWPZVUURMPIIFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.540

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-5.58

Polar Surface Area

47.940

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C176-0154 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C176-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0154?
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What is the minimum amount of C176-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0154
  • 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 C176-0154 available by request