C797-0521 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-{2-[ethyl(phenyl)amino]ethyl}piperidine-4-carboxamide

C797-0521 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-{2-[ethyl(phenyl)amino]ethyl}piperidine-4-carboxamide
C797-0521 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-{2-[ethyl(phenyl)amino]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0521
1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-{2-[ethyl(phenyl)amino]ethyl}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

C797-0521

Molecular Formula

C32H39N5O (C32 H39 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCNC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1c(C)ccc(C)c1)=O)c1ccccc1

InChI

InChI=1S/C32H39N5O/c1-4-35(28-10-6-5-7-11-28)21-18-33-31(38)26-16-19-36(20-17-26)32-34-29-12-8-9-13-30(29)37(32)23-27-22-24(2)14-15-25(27)3/h5-15,22,26H,4,16-21,23H2,1-3H3,(H,33,38)

InChI Key

HVDZTMSLZFSYEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.698

Distribution Coefficient, logD

6.615

Water Solubility, LogSw

-5.54

Polar Surface Area

40.405

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C797-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0521?
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What is the minimum amount of C797-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0521
  • 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 C797-0521 available by request