C301-9014 Screening compound: 2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]acetamide

C301-9014 Screening compound: 2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]acetamide
C301-9014 Screening compound: 2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9014
2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]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

C301-9014

Molecular Formula

C23H26ClN3O2S (C23 H26 ClN3 O2 S)

Compound Name

2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]acetamide

IUPAC name

2-(4-chlorophenyl)-N-[6-(cyclohexylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]acetamide

SMILES

CN(c(c(N1C)c2)cc(NC(Cc(cc3)ccc3Cl)=O)c2SC2CCCCC2)C1=O

InChI

InChI=1S/C23H26ClN3O2S/c1-26-19-13-18(25-22(28)12-15-8-10-16(24)11-9-15)21(14-20(19)27(2)23(26)29)30-17-6-4-3-5-7-17/h8-11,13-14,17H,3-7,12H2,1-2H3,(H,25,28)

InChI Key

MXYDVAFQMPCZBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.588

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.86

Polar Surface Area

40.024

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C301-9014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C301-9014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9014?
Check Price and Availability of C301-9014, 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 C301-9014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9014
  • 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 C301-9014 available by request