D093-0077 Screening compound: 4-(4-FLUOROBENZENESULFONYL)-5-(PROPANE-2-SULFONYL)-2-(THIOPHEN-2-YL)-1,3-OXAZOLE

D093-0077 Screening compound: 4-(4-FLUOROBENZENESULFONYL)-5-(PROPANE-2-SULFONYL)-2-(THIOPHEN-2-YL)-1,3-OXAZOLE
D093-0077 Screening compound: 4-(4-FLUOROBENZENESULFONYL)-5-(PROPANE-2-SULFONYL)-2-(THIOPHEN-2-YL)-1,3-OXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0077
4-(4-FLUOROBENZENESULFONYL)-5-(PROPANE-2-SULFONYL)-2-(THIOPHEN-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

D093-0077

Molecular Formula

C16H14FNO5S3 (C16 H14 FNO5 S3)

Compound Name

4-(4-FLUOROBENZENESULFONYL)-5-(PROPANE-2-SULFONYL)-2-(THIOPHEN-2-YL)-1,3-OXAZOLE

IUPAC name

4-(4-fluorobenzenesulfonyl)-5-(propane-2-sulfonyl)-2-(thiophen-2-yl)-13-oxazole

SMILES

CC(C)S(c(oc(-c1cccs1)n1)c1S(c(cc1)ccc1F)(=O)=O)(=O)=O

InChI

InChI=1S/C16H14FNO5S3/c1-10(2)25(19,20)16-15(18-14(23-16)13-4-3-9-24-13)26(21,22)12-7-5-11(17)6-8-12/h3-10H,1-2H3

InChI Key

XQJFLCQKEBSBQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

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

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.80

Polar Surface Area

78.731

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-11.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D093-0077 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D093-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0077?
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What is the minimum amount of D093-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0077
  • 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 D093-0077 available by request