D050-0097 Screening compound: N-{4-[(1,2-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide

D050-0097 Screening compound: N-{4-[(1,2-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide
D050-0097 Screening compound: N-{4-[(1,2-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0097
N-{4-[(1,2-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide

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

D050-0097

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

N-{4-[(1,2-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide

IUPAC name

N-{4-[(12-benzoxazol-3-yl)sulfamoyl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1S(Nc1noc2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C15H13N3O4S/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-13-4-2-3-5-14(13)22-17-15/h2-9H,1H3,(H,16,19)(H,17,18)

InChI Key

SFYCKZXJOHEOTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.84

Polar Surface Area

86.218

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D050-0097 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D050-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0097?
Check Price and Availability of D050-0097, 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 D050-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0097
  • 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 D050-0097 available by request