C301-7795 Screening compound: N-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide

C301-7795 Screening compound: N-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide
C301-7795 Screening compound: N-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7795
N-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide

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

C301-7795

Molecular Formula

C14H11N3OS (C14 H11 N3 OS)

Compound Name

N-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide

IUPAC name

N-(2-sulfanylidene-23-dihydro-1H-13-benzodiazol-5-yl)benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)cc(N2)c1NC2=S

InChI

InChI=1S/C14H11N3OS/c18-13(9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)17-14(19)16-11/h1-8H,(H,15,18)(H2,16,17,19)

InChI Key

BZDGNXIWZBDLHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.40

Polar Surface Area

46.039

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C301-7795 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-7795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7795?
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What is the minimum amount of C301-7795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7795
  • 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 C301-7795 available by request