C797-0790 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0790 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0790 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0790
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-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

C797-0790

Molecular Formula

C31H34N4O3 (C31 H34 N4 O3)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-1-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carboxamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1c(C)cccc1)=O

InChI

InChI=1S/C31H34N4O3/c1-21-7-3-4-8-25(21)20-35-27-10-6-5-9-26(27)33-31(35)34-15-13-23(14-16-34)30(36)32-22(2)24-11-12-28-29(19-24)38-18-17-37-28/h3-12,19,22-23H,13-18,20H2,1-2H3,(H,32,36)/t22-/m0/s1

InChI Key

QVIZEILOXPNDRV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14798369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.04

Polar Surface Area

52.560

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

C797-0790 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C797-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0790?
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What is the minimum amount of C797-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0790
  • 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 C797-0790 available by request