5896-0378 Screening compound: N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine

5896-0378 Screening compound: N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine
5896-0378 Screening compound: N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5896-0378
N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine

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

5896-0378

Molecular Formula

C23H19ClN2O4S (C23 H19 ClN2 O4 S)

Compound Name

N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-amine

IUPAC name

N-benzyl-4-(4-chlorobenzenesulfonyl)-2-(3-methoxyphenyl)-13-oxazol-5-amine

SMILES

COc1cccc(-c2nc(S(c(cc3)ccc3Cl)(=O)=O)c(NCc3ccccc3)o2)c1

InChI

InChI=1S/C23H19ClN2O4S/c1-29-19-9-5-8-17(14-19)21-26-23(31(27,28)20-12-10-18(24)11-13-20)22(30-21)25-15-16-6-3-2-4-7-16/h2-14,25H,15H2,1H3

InChI Key

SJCYDGITMQGKGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03969703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.81

Polar Surface Area

65.545

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5896-0378 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5896-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5896-0378?
Check Price and Availability of 5896-0378, 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 5896-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5896-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5896-0378
  • 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 5896-0378 available by request