C301-5973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

C301-5973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide
C301-5973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5973
N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

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

C301-5973

Molecular Formula

C21H22F2N4O2 (C21 H22 F2 N4 O2)

Compound Name

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

IUPAC name

N-[13-dimethyl-2-oxo-6-(piperidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-26-difluorobenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(c(F)ccc3)c3F)=O)c2N2CCCCC2)C1=O

InChI

InChI=1S/C21H22F2N4O2/c1-25-17-11-15(24-20(28)19-13(22)7-6-8-14(19)23)16(27-9-4-3-5-10-27)12-18(17)26(2)21(25)29/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,24,28)

InChI Key

XFPLCKFERRMQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-4.38

Polar Surface Area

43.468

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-5973 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Human Transcription Factors Annotated Library (5098 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C301-5973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5973?
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What is the minimum amount of C301-5973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5973
  • 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 C301-5973 available by request