C176-0405 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-1,3-oxazole

C176-0405 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-1,3-oxazole
C176-0405 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0405
4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-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

C176-0405

Molecular Formula

C16H14FNO4S2 (C16 H14 FNO4 S2)

Compound Name

4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-1,3-oxazole

IUPAC name

4-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)-5-(propan-2-ylsulfanyl)-13-oxazole

SMILES

CC(C)Sc(oc(-c1ccco1)n1)c1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C16H14FNO4S2/c1-10(2)23-16-15(18-14(22-16)13-4-3-9-21-13)24(19,20)12-7-5-11(17)6-8-12/h3-10H,1-2H3

InChI Key

UAKHFQAFROYGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.29

Polar Surface Area

56.518

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

-8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C176-0405 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0405?
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What is the minimum amount of C176-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0405
  • 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 C176-0405 available by request