C174-0118 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-4-fluorobenzamide

C174-0118 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-4-fluorobenzamide
C174-0118 Screening compound: N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0118
N-({1-[(2,5-dimethylphenyl)methyl]-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

C174-0118

Molecular Formula

C24H22FN3O (C24 H22 FN3 O)

Compound Name

N-({1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-4-fluorobenzamide

IUPAC name

N-({1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)-4-fluorobenzamide

SMILES

Cc1cc(Cn2c(cccc3)c3nc2CNC(c(cc2)ccc2F)=O)c(C)cc1

InChI

InChI=1S/C24H22FN3O/c1-16-7-8-17(2)19(13-16)15-28-22-6-4-3-5-21(22)27-23(28)14-26-24(29)18-9-11-20(25)12-10-18/h3-13H,14-15H2,1-2H3,(H,26,29)

InChI Key

GUAQPCVCPBNHMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.563

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-5.43

Polar Surface Area

35.557

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C174-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0118?
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What is the minimum amount of C174-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0118
  • 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 C174-0118 available by request