D403-0188 Screening compound: 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

D403-0188 Screening compound: 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine
D403-0188 Screening compound: 1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-0188
1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

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

D403-0188

Molecular Formula

C25H23N3O4S2 (C25 H23 N3 O4 S2)

Compound Name

1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-13-oxazol-5-yl]-4-(thiophene-2-carbonyl)piperazine

SMILES

Cc(cccc1)c1-c1nc(S(c2ccccc2)(=O)=O)c(N(CC2)CCN2C(c2cccs2)=O)o1

InChI

InChI=1S/C25H23N3O4S2/c1-18-8-5-6-11-20(18)22-26-23(34(30,31)19-9-3-2-4-10-19)25(32-22)28-15-13-27(14-16-28)24(29)21-12-7-17-33-21/h2-12,17H,13-16H2,1H3

InChI Key

JBSKXNVBIKTIFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.47

Polar Surface Area

68.953

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D403-0188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D403-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-0188?
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What is the minimum amount of D403-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-0188
  • 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 D403-0188 available by request