D403-0894 Screening compound: 1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one

D403-0894 Screening compound: 1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one
D403-0894 Screening compound: 1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-0894
1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-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

D403-0894

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[4-(4-methylbenzenesulfonyl)-2-(3-methylphenyl)-13-oxazol-5-yl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1c(oc(-c1cc(C)ccc1)n1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-16-7-9-20(10-8-16)31(28,29)22-23(26-13-11-25(12-14-26)18(3)27)30-21(24-22)19-6-4-5-17(2)15-19/h4-10,15H,11-14H2,1-3H3

InChI Key

FYPPZUDCUWMUPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-3.97

Polar Surface Area

68.674

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D403-0894 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 D403-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-0894?
Check Price and Availability of D403-0894, 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 D403-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-0894
  • 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 D403-0894 available by request