D093-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-1,3-oxazole

D093-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-1,3-oxazole
D093-0029 Screening compound: 4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0029
4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-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

D093-0029

Molecular Formula

C19H17F2NO5S2 (C19 H17 F2 NO5 S2)

Compound Name

4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-1,3-oxazole

IUPAC name

4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(2-methylpropanesulfonyl)-13-oxazole

SMILES

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

InChI

InChI=1S/C19H17F2NO5S2/c1-12(2)11-28(23,24)19-18(29(25,26)16-9-7-15(21)8-10-16)22-17(27-19)13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3

InChI Key

LRTXRQGAYIREOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

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

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.30

Polar Surface Area

76.976

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-12.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D093-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D093-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0029?
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What is the minimum amount of D093-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0029
  • 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 D093-0029 available by request