C776-3839 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

C776-3839 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
C776-3839 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3839
1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]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

C776-3839

Molecular Formula

C31H36N4O2 (C31 H36 N4 O2)

Compound Name

1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

CCOc1ccc(CNC(C(CC2)CCN2c2nc(cccc3)c3n2Cc2c(C)ccc(C)c2)=O)cc1

InChI

InChI=1S/C31H36N4O2/c1-4-37-27-13-11-24(12-14-27)20-32-30(36)25-15-17-34(18-16-25)31-33-28-7-5-6-8-29(28)35(31)21-26-19-22(2)9-10-23(26)3/h5-14,19,25H,4,15-18,20-21H2,1-3H3,(H,32,36)

InChI Key

LBIKCZZVHSMSIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.431

Distribution Coefficient, logD

6.347

Water Solubility, LogSw

-5.53

Polar Surface Area

44.697

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with C776-3839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3839?
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What is the minimum amount of C776-3839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3839
  • 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 C776-3839 available by request