C797-0781 Screening compound: N-(1-benzylpiperidin-4-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0781 Screening compound: N-(1-benzylpiperidin-4-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0781 Screening compound: N-(1-benzylpiperidin-4-yl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0781
N-(1-benzylpiperidin-4-yl)-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

C797-0781

Molecular Formula

C33H39N5O (C33 H39 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(N(CC3)CCC3C(NC3CCN(Cc4ccccc4)CC3)=O)nc3c2cccc3)cccc1

InChI

InChI=1S/C33H39N5O/c1-25-9-5-6-12-28(25)24-38-31-14-8-7-13-30(31)35-33(38)37-21-15-27(16-22-37)32(39)34-29-17-19-36(20-18-29)23-26-10-3-2-4-11-26/h2-14,27,29H,15-24H2,1H3,(H,34,39)

InChI Key

RZNVSGQGISYDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.71

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

5.989

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-5.46

Polar Surface Area

40.839

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

References: we are preparing a list of scientific research reports with C797-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0781?
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What is the minimum amount of C797-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0781
  • 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 C797-0781 available by request