D403-0006 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(2-methylbenzoyl)piperazine

D403-0006 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(2-methylbenzoyl)piperazine
D403-0006 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(2-methylbenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-0006
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(2-methylbenzoyl)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

D403-0006

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(2-methylbenzoyl)piperazine

IUPAC name

1-[4-(benzenesulfonyl)-2-phenyl-13-oxazol-5-yl]-4-(2-methylbenzoyl)piperazine

SMILES

Cc(cccc1)c1C(N(CC1)CCN1c(oc(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C27H25N3O4S/c1-20-10-8-9-15-23(20)26(31)29-16-18-30(19-17-29)27-25(35(32,33)22-13-6-3-7-14-22)28-24(34-27)21-11-4-2-5-12-21/h2-15H,16-19H2,1H3

InChI Key

GSFVBAKFOFWKQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

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

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.36

Polar Surface Area

67.935

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D403-0006 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 D403-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-0006?
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What is the minimum amount of D403-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-0006
  • 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 D403-0006 available by request