C176-0389 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazole

C176-0389 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazole
C176-0389 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0389
5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-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

C176-0389

Molecular Formula

C21H16FNO4S2 (C21 H16 FNO4 S2)

Compound Name

5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazole

IUPAC name

5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-13-oxazole

SMILES

Cc(cc1)ccc1S(c(nc(-c1ccco1)o1)c1SCc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C21H16FNO4S2/c1-14-8-10-16(11-9-14)29(24,25)20-21(27-19(23-20)18-7-4-12-26-18)28-13-15-5-2-3-6-17(15)22/h2-12H,13H2,1H3

InChI Key

PRJMVCJLSXHUBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.583

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.55

Polar Surface Area

56.247

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C176-0389 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0389?
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What is the minimum amount of C176-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0389
  • 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 C176-0389 available by request