C176-0454 Screening compound: 4-(4-bromobenzenesulfonyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-1,3-oxazole

C176-0454 Screening compound: 4-(4-bromobenzenesulfonyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-1,3-oxazole
C176-0454 Screening compound: 4-(4-bromobenzenesulfonyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0454
4-(4-bromobenzenesulfonyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-2-(furan-2-yl)-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

C176-0454

Molecular Formula

C20H13BrFNO4S2 (C20 H13 BrFNO4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(nc(-c1ccco1)o1)c1SCc(cc1)ccc1F)(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H13BrFNO4S2/c21-14-5-9-16(10-6-14)29(24,25)19-20(27-18(23-19)17-2-1-11-26-17)28-12-13-3-7-15(22)8-4-13/h1-11H,12H2

InChI Key

RUKXUJTWMUFJHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.36

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

5.458

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-5.84

Polar Surface Area

56.247

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C176-0454 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C176-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0454?
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What is the minimum amount of C176-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0454
  • 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 C176-0454 available by request