D404-0173 Screening compound: 1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazine

D404-0173 Screening compound: 1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazine
D404-0173 Screening compound: 1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D404-0173
1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]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

D404-0173

Molecular Formula

C25H23N3O4S2 (C25 H23 N3 O4 S2)

Compound Name

1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]piperazine

IUPAC name

1-benzoyl-4-[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-13-oxazol-5-yl]piperazine

SMILES

Cc(cc1)ccc1S(c1c(N(CC2)CCN2C(c2ccccc2)=O)oc(-c2cccs2)n1)(=O)=O

InChI

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

InChI Key

ZFIJZGNCZCVAAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181533

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

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.33

Polar Surface Area

68.953

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D404-0173 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D404-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D404-0173?
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What is the minimum amount of D404-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D404-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D404-0173
  • 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 D404-0173 available by request