5896-0403 Screening compound: 2-(2-bromophenyl)-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-amine

5896-0403 Screening compound: 2-(2-bromophenyl)-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-amine
5896-0403 Screening compound: 2-(2-bromophenyl)-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5896-0403
2-(2-bromophenyl)-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-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

5896-0403

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

2-(2-bromophenyl)-N,N-dimethyl-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-amine

IUPAC name

2-(2-bromophenyl)-NN-dimethyl-4-(4-methylbenzenesulfonyl)-13-oxazol-5-amine

SMILES

Cc(cc1)ccc1S(c1c(N(C)C)oc(-c(cccc2)c2Br)n1)(=O)=O

InChI

InChI=1S/C18H17BrN2O3S/c1-12-8-10-13(11-9-12)25(22,23)17-18(21(2)3)24-16(20-17)14-6-4-5-7-15(14)19/h4-11H,1-3H3

InChI Key

OXQLTPGYKFBPHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03969709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.46

Polar Surface Area

50.831

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5896-0403 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5896-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5896-0403?
Check Price and Availability of 5896-0403, 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 5896-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5896-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5896-0403
  • 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 5896-0403 available by request