C301-9013 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]cyclopropanecarboxamide

C301-9013 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]cyclopropanecarboxamide
C301-9013 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9013
N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]cyclopropanecarboxamide

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

C301-9013

Molecular Formula

C19H25N3O2S (C19 H25 N3 O2 S)

Compound Name

N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]cyclopropanecarboxamide

IUPAC name

N-[6-(cyclohexylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]cyclopropanecarboxamide

SMILES

CN(c(c(N1C)c2)cc(NC(C3CC3)=O)c2SC2CCCCC2)C1=O

InChI

InChI=1S/C19H25N3O2S/c1-21-15-10-14(20-18(23)12-8-9-12)17(11-16(15)22(2)19(21)24)25-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H,20,23)

InChI Key

YRLJAYLOVTWMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.29

Polar Surface Area

40.760

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C301-9013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9013?
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What is the minimum amount of C301-9013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9013
  • 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 C301-9013 available by request