D093-0048 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole

D093-0048 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole
D093-0048 Screening compound: 4-(benzenesulfonyl)-5-(butane-1-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0048
4-(benzenesulfonyl)-5-(butane-1-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

D093-0048

Molecular Formula

C17H17NO5S3 (C17 H17 NO5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCCCS(c(oc(-c1cccs1)n1)c1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H17NO5S3/c1-2-3-12-25(19,20)17-16(18-15(23-17)14-10-7-11-24-14)26(21,22)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3

InChI Key

BVINDCBGHCCQKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

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

4.005

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.00

Polar Surface Area

77.994

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-11.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D093-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 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 D093-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0048?
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What is the minimum amount of D093-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0048
  • 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 D093-0048 available by request