C207-0087 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide

C207-0087 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide
C207-0087 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C207-0087
3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide

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

C207-0087

Molecular Formula

C16H15N3O5S (C16 H15 N3 O5 S)

Compound Name

3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide

IUPAC name

3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)-N-(4-sulfamoylphenyl)propanamide

SMILES

NS(c(cc1)ccc1NC(CCN(c(cccc1)c1O1)C1=O)=O)(=O)=O

InChI

InChI=1S/C16H15N3O5S/c17-25(22,23)12-7-5-11(6-8-12)18-15(20)9-10-19-13-3-1-2-4-14(13)24-16(19)21/h1-8H,9-10H2,(H,18,20)(H2,17,22,23)

InChI Key

VTWDXWKQGVHHRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

0.998

Water Solubility, LogSw

-2.12

Polar Surface Area

96.798

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C207-0087 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C207-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C207-0087?
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What is the minimum amount of C207-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C207-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C207-0087
  • 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 C207-0087 available by request