D093-0039 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole

D093-0039 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole
D093-0039 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0039
4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-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

D093-0039

Molecular Formula

C18H15BrFNO5S2 (C18 H15 BrFNO5 S2)

Compound Name

4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole

IUPAC name

4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-13-oxazole

SMILES

CCCS(c(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1Br)(=O)=O)(=O)=O

InChI

InChI=1S/C18H15BrFNO5S2/c1-2-11-27(22,23)18-17(28(24,25)15-9-5-13(19)6-10-15)21-16(26-18)12-3-7-14(20)8-4-12/h3-10H,2,11H2,1H3

InChI Key

BRFIIVHQAOKZPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.42

Polar Surface Area

76.976

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

-12.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D093-0039 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D093-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0039?
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What is the minimum amount of D093-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0039
  • 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 D093-0039 available by request