C301-5972 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-fluorobenzamide

C301-5972 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-fluorobenzamide
C301-5972 Screening compound: N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5972
N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-fluorobenzamide

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

C301-5972

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(N1C)c2)cc(NC(c(cccc3)c3F)=O)c2N2CCCCC2)C1=O

InChI

InChI=1S/C21H23FN4O2/c1-24-18-12-16(23-20(27)14-8-4-5-9-15(14)22)17(26-10-6-3-7-11-26)13-19(18)25(2)21(24)28/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,23,27)

InChI Key

PLFNGUIQCUOGIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

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

3.860

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.91

Polar Surface Area

43.468

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-5972 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C301-5972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5972?
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What is the minimum amount of C301-5972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5972
  • 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 C301-5972 available by request