G856-0585 Screening compound: N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-1,3-oxazol-5-amine

G856-0585 Screening compound: N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-1,3-oxazol-5-amine
G856-0585 Screening compound: N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0585
N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-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

G856-0585

Molecular Formula

C17H15BrN2O3S (C17 H15 BrN2 O3 S)

Compound Name

N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-1,3-oxazol-5-amine

IUPAC name

N-benzyl-4-(4-bromobenzenesulfonyl)-2-methyl-13-oxazol-5-amine

SMILES

Cc1nc(S(c(cc2)ccc2Br)(=O)=O)c(NCc2ccccc2)o1

InChI

InChI=1S/C17H15BrN2O3S/c1-12-20-17(24(21,22)15-9-7-14(18)8-10-15)16(23-12)19-11-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3

InChI Key

XNOVJHRILILIFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06435114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.03

Polar Surface Area

57.501

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G856-0585 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 G856-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0585?
Check Price and Availability of G856-0585, 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 G856-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0585
  • 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 G856-0585 available by request