D093-0017 Screening compound: 2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-5-(propane-2-sulfonyl)-1,3-oxazole

D093-0017 Screening compound: 2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-5-(propane-2-sulfonyl)-1,3-oxazole
D093-0017 Screening compound: 2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-5-(propane-2-sulfonyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0017
2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-5-(propane-2-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

D093-0017

Molecular Formula

C19H18FNO5S2 (C19 H18 FNO5 S2)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-5-(propane-2-sulfonyl)-13-oxazole

SMILES

CC(C)S(c(oc(-c(cc1)ccc1F)n1)c1S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C19H18FNO5S2/c1-12(2)27(22,23)19-18(28(24,25)16-10-4-13(3)5-11-16)21-17(26-19)14-6-8-15(20)9-7-14/h4-12H,1-3H3

InChI Key

MPOYYDRNTCGZRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.24

Polar Surface Area

77.712

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-12.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D093-0017 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 D093-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0017?
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What is the minimum amount of D093-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0017
  • 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 D093-0017 available by request