D093-0006 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-1,3-oxazole

D093-0006 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-1,3-oxazole
D093-0006 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0006
4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-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

D093-0006

Molecular Formula

C19H18FNO5S2 (C19 H18 FNO5 S2)

Compound Name

4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(4-fluorophenyl)-13-oxazole

SMILES

CCCCS(c(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C19H18FNO5S2/c1-2-3-13-27(22,23)19-18(28(24,25)16-7-5-4-6-8-16)21-17(26-19)14-9-11-15(20)12-10-14/h4-12H,2-3,13H2,1H3

InChI Key

YOOSYBMZEBWGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12968532

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.20

Polar Surface Area

76.976

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-12.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D093-0006 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D093-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0006?
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What is the minimum amount of D093-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0006
  • 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 D093-0006 available by request