C301-9016 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

C301-9016 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide
C301-9016 Screening compound: N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9016
N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-propoxybenzamide

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

C301-9016

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(Nc(cc(c(N1C)c2)N(C)C1=O)c2SC1CCCCC1)=O

InChI

InChI=1S/C25H31N3O3S/c1-4-14-31-18-12-10-17(11-13-18)24(29)26-20-15-21-22(28(3)25(30)27(21)2)16-23(20)32-19-8-6-5-7-9-19/h10-13,15-16,19H,4-9,14H2,1-3H3,(H,26,29)

InChI Key

YPPCTIABPLZWMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.261

Water Solubility, LogSw

-5.38

Polar Surface Area

47.655

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C301-9016 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C301-9016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9016?
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What is the minimum amount of C301-9016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9016
  • 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 C301-9016 available by request