C776-4160 Screening compound: 1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C776-4160 Screening compound: 1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
C776-4160 Screening compound: 1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-4160
1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-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

C776-4160

Molecular Formula

C31H34N4O (C31 H34 N4 O)

Compound Name

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

IUPAC name

1-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}-N-(1234-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

SMILES

Cc1c(Cn2c(N(CC3)CCC3C(NC(CCC3)c4c3cccc4)=O)nc3c2cccc3)cccc1

InChI

InChI=1S/C31H34N4O/c1-22-9-2-3-11-25(22)21-35-29-16-7-6-14-28(29)33-31(35)34-19-17-24(18-20-34)30(36)32-27-15-8-12-23-10-4-5-13-26(23)27/h2-7,9-11,13-14,16,24,27H,8,12,15,17-21H2,1H3,(H,32,36)/t27-/m0/s1

InChI Key

SSFHXRRELMQBSG-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14793324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

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

6.653

Distribution Coefficient, logD

6.570

Water Solubility, LogSw

-5.62

Polar Surface Area

37.417

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with C776-4160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-4160?
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What is the minimum amount of C776-4160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-4160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-4160
  • 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 C776-4160 available by request