D050-0089 Screening compound: N-(1,2-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide

D050-0089 Screening compound: N-(1,2-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide
D050-0089 Screening compound: N-(1,2-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0089
N-(1,2-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide

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

D050-0089

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

N-(1,2-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide

IUPAC name

N-(12-benzoxazol-3-yl)-4-tert-butylbenzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(Nc1noc2c1cccc2)(=O)=O

InChI

InChI=1S/C17H18N2O3S/c1-17(2,3)12-8-10-13(11-9-12)23(20,21)19-16-14-6-4-5-7-15(14)22-18-16/h4-11H,1-3H3,(H,18,19)

InChI Key

KYSDPZQESWJPLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-4.74

Polar Surface Area

62.956

Acid Dissociation Constant (pKa)

5.95

Base Dissociation Constant (pKb)

-7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D050-0089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D050-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0089?
Check Price and Availability of D050-0089, 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 D050-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0089
  • 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 D050-0089 available by request