D093-0049 Screening compound: 4-(benzenesulfonyl)-5-(butane-2-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole

D093-0049 Screening compound: 4-(benzenesulfonyl)-5-(butane-2-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole
D093-0049 Screening compound: 4-(benzenesulfonyl)-5-(butane-2-sulfonyl)-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0049
4-(benzenesulfonyl)-5-(butane-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

D093-0049

Molecular Formula

C17H17NO5S3 (C17 H17 NO5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)S(c(oc(-c1cccs1)n1)c1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H17NO5S3/c1-3-12(2)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/h4-12H,3H2,1-2H3/t12-/m0/s1

InChI Key

NTEYDEZXIAKUDN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD26967245

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.99

Polar Surface Area

78.731

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-11.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D093-0049 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D093-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0049?
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What is the minimum amount of D093-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0049
  • 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 D093-0049 available by request