C174-0027 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-4-fluorobenzamide

C174-0027 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-4-fluorobenzamide
C174-0027 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0027
N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-4-fluorobenzamide

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

C174-0027

Molecular Formula

C17H16FN3O (C17 H16 FN3 O)

Compound Name

N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-4-fluorobenzamide

IUPAC name

N-[(1-ethyl-1H-13-benzodiazol-2-yl)methyl]-4-fluorobenzamide

SMILES

CCn1c(cccc2)c2nc1CNC(c(cc1)ccc1F)=O

InChI

InChI=1S/C17H16FN3O/c1-2-21-15-6-4-3-5-14(15)20-16(21)11-19-17(22)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)

InChI Key

NKPLLWZYATVXML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.31

Polar Surface Area

35.553

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C174-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C174-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0027?
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What is the minimum amount of C174-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0027
  • 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 C174-0027 available by request