C174-0335 Screening compound: N-(1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

C174-0335 Screening compound: N-(1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide
C174-0335 Screening compound: N-(1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0335
N-(1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

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

C174-0335

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

N-(1-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

IUPAC name

N-(1-{1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

SMILES

CC(c1nc(cccc2)c2n1Cc1c(C)cccc1)NC(COc1ccccc1)=O

InChI

InChI=1S/C25H25N3O2/c1-18-10-6-7-11-20(18)16-28-23-15-9-8-14-22(23)27-25(28)19(2)26-24(29)17-30-21-12-4-3-5-13-21/h3-15,19H,16-17H2,1-2H3,(H,26,29)/t19-/m0/s1

InChI Key

KPYFNDSKZCXABF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05897634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.20

Polar Surface Area

41.029

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C174-0335 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C174-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0335?
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What is the minimum amount of C174-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0335
  • 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 C174-0335 available by request