C105-0681 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide

C105-0681 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide
C105-0681 Screening compound: 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0681
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide

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

C105-0681

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide

IUPAC name

3-(213-benzoxadiazole-4-sulfonyl)-N-(4-methoxyphenyl)-N-methylpropanamide

SMILES

CN(C(CCS(c1cccc2nonc12)(=O)=O)=O)c(cc1)ccc1OC

InChI

InChI=1S/C17H17N3O5S/c1-20(12-6-8-13(24-2)9-7-12)16(21)10-11-26(22,23)15-5-3-4-14-17(15)19-25-18-14/h3-9H,10-11H2,1-2H3

InChI Key

CPRICGJJTDOASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.948

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.45

Polar Surface Area

87.750

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C105-0681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with C105-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0681?
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What is the minimum amount of C105-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0681
  • 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 C105-0681 available by request