D403-0012 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(3-fluorobenzoyl)piperazine

D403-0012 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(3-fluorobenzoyl)piperazine
D403-0012 Screening compound: 1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(3-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-0012
1-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-4-(3-fluorobenzoyl)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

D403-0012

Molecular Formula

C26H22FN3O4S (C26 H22 FN3 O4 S)

Compound Name

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

IUPAC name

1-[4-(benzenesulfonyl)-2-phenyl-13-oxazol-5-yl]-4-(3-fluorobenzoyl)piperazine

SMILES

O=C(c1cc(F)ccc1)N(CC1)CCN1c(oc(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C26H22FN3O4S/c27-21-11-7-10-20(18-21)25(31)29-14-16-30(17-15-29)26-24(35(32,33)22-12-5-2-6-13-22)28-23(34-26)19-8-3-1-4-9-19/h1-13,18H,14-17H2

InChI Key

KTPKDMYOIHOJKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.54

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

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.29

Polar Surface Area

67.935

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D403-0012 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 D403-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-0012?
Check Price and Availability of D403-0012, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D403-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-0012
  • 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 D403-0012 available by request