C776-3970 Screening compound: N-(2,3-dimethylcyclohexyl)-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-3970 Screening compound: N-(2,3-dimethylcyclohexyl)-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-3970 Screening compound: N-(2,3-dimethylcyclohexyl)-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3970
N-(2,3-dimethylcyclohexyl)-1-{1-[(3-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

C776-3970

Molecular Formula

C29H38N4O (C29 H38 N4 O)

Compound Name

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

IUPAC name

N-(23-dimethylcyclohexyl)-1-{1-[(3-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cc(C)ccc1)=O

InChI

InChI=1S/C29H38N4O/c1-20-8-6-10-23(18-20)19-33-27-13-5-4-11-26(27)31-29(33)32-16-14-24(15-17-32)28(34)30-25-12-7-9-21(2)22(25)3/h4-6,8,10-11,13,18,21-22,24-25H,7,9,12,14-17,19H2,1-3H3,(H,30,34)

InChI Key

AIRUJDWYWDUPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

5.952

Water Solubility, LogSw

-5.35

Polar Surface Area

37.689

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.70

References: we are preparing a list of scientific research reports with C776-3970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3970?
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What is the minimum amount of C776-3970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3970
  • 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 C776-3970 available by request