D403-2226 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

D403-2226 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one
D403-2226 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-2226
1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

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

D403-2226

Molecular Formula

C23H23F2N3O4S (C23 H23 F2 N3 O4 S)

Compound Name

1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

IUPAC name

1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-13-oxazol-5-yl]piperazin-1-yl}butan-1-one

SMILES

CCCC(N(CC1)CCN1c(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C23H23F2N3O4S/c1-2-3-20(29)27-12-14-28(15-13-27)23-22(33(30,31)19-10-8-18(25)9-11-19)26-21(32-23)16-4-6-17(24)7-5-16/h4-11H,2-3,12-15H2,1H3

InChI Key

GSLIFXRLFNCCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.05

Polar Surface Area

67.679

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D403-2226 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 D403-2226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-2226?
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What is the minimum amount of D403-2226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-2226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-2226
  • 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 D403-2226 available by request