C776-4174 Screening compound: N-(3-ethoxypropyl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-4174 Screening compound: N-(3-ethoxypropyl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-4174 Screening compound: N-(3-ethoxypropyl)-1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-4174
N-(3-ethoxypropyl)-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

C776-4174

Molecular Formula

C26H34N4O2 (C26 H34 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(C(CC1)CCN1c1nc(cccc2)c2n1Cc1c(C)cccc1)=O

InChI

InChI=1S/C26H34N4O2/c1-3-32-18-8-15-27-25(31)21-13-16-29(17-14-21)26-28-23-11-6-7-12-24(23)30(26)19-22-10-5-4-9-20(22)2/h4-7,9-12,21H,3,8,13-19H2,1-2H3,(H,27,31)

InChI Key

FLVIRLKWLNKVAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.870

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.39

Polar Surface Area

45.664

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C776-4174 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C776-4174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-4174?
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What is the minimum amount of C776-4174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-4174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-4174
  • 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 C776-4174 available by request