C174-0136 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-3,4-dimethoxybenzamide

C174-0136 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-3,4-dimethoxybenzamide
C174-0136 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0136
N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-3,4-dimethoxybenzamide

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

C174-0136

Molecular Formula

C24H22FN3O3 (C24 H22 FN3 O3)

Compound Name

N-({1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)-3,4-dimethoxybenzamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc1nc(cccc2)c2n1Cc(cccc1)c1F)=O)c1)c1OC

InChI

InChI=1S/C24H22FN3O3/c1-30-21-12-11-16(13-22(21)31-2)24(29)26-14-23-27-19-9-5-6-10-20(19)28(23)15-17-7-3-4-8-18(17)25/h3-13H,14-15H2,1-2H3,(H,26,29)

InChI Key

GRDNJCIILXNVFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.42

Polar Surface Area

50.817

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C174-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0136?
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What is the minimum amount of C174-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0136
  • 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 C174-0136 available by request