C776-3597 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-3597 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-3597 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3597
N-[(3-methoxyphenyl)methyl]-1-{1-[(4-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

C776-3597

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(N(CC3)CCC3C(NCc3cc(OC)ccc3)=O)nc3c2cccc3)cc1

InChI

InChI=1S/C29H32N4O2/c1-21-10-12-22(13-11-21)20-33-27-9-4-3-8-26(27)31-29(33)32-16-14-24(15-17-32)28(34)30-19-23-6-5-7-25(18-23)35-2/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,30,34)

InChI Key

FUYMDUXACPCSGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.399

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.32

Polar Surface Area

45.117

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C776-3597 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C776-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3597?
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What is the minimum amount of C776-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3597
  • 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 C776-3597 available by request