D093-0381 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-yl]-4-phenylpiperazine

D093-0381 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-yl]-4-phenylpiperazine
D093-0381 Screening compound: 1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-yl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D093-0381
1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-yl]-4-phenylpiperazine

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

D093-0381

Molecular Formula

C29H31N3O5S2 (C29 H31 N3 O5 S2)

Compound Name

1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-1,3-oxazol-5-yl]-4-phenylpiperazine

IUPAC name

1-[4-(4-methylbenzenesulfonyl)-2-[2-(4-methylbenzenesulfonyl)ethyl]-13-oxazol-5-yl]-4-phenylpiperazine

SMILES

Cc(cc1)ccc1S(CCc1nc(S(c2ccc(C)cc2)(=O)=O)c(N(CC2)CCN2c2ccccc2)o1)(=O)=O

InChI

InChI=1S/C29H31N3O5S2/c1-22-8-12-25(13-9-22)38(33,34)21-16-27-30-28(39(35,36)26-14-10-23(2)11-15-26)29(37-27)32-19-17-31(18-20-32)24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3

InChI Key

TUUSGUUZCFBBPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.481

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.50

Polar Surface Area

83.441

Acid Dissociation Constant (pKa)

20.68

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

D093-0381 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D093-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D093-0381?
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What is the minimum amount of D093-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D093-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D093-0381
  • 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 D093-0381 available by request