C776-4176 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-4176 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-4176 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-4176
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

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

C776-4176

Molecular Formula

C29H36N4O (C29 H36 N4 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

Cc1c(Cn2c(N(CC3)CCC3C(NCCC3=CCCCC3)=O)nc3c2cccc3)cccc1

InChI

InChI=1S/C29H36N4O/c1-22-9-5-6-12-25(22)21-33-27-14-8-7-13-26(27)31-29(33)32-19-16-24(17-20-32)28(34)30-18-15-23-10-3-2-4-11-23/h5-10,12-14,24H,2-4,11,15-21H2,1H3,(H,30,34)

InChI Key

NMNMNULWMPLOTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-5.35

Polar Surface Area

37.607

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

References: we are preparing a list of scientific research reports with C776-4176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-4176?
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What is the minimum amount of C776-4176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-4176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-4176
  • 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 C776-4176 available by request