F972-0355 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

F972-0355 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
F972-0355 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0355
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-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

F972-0355

Molecular Formula

C25H22ClFN4O2 (C25 H22 ClFN4 O2)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(4-acetamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CC(Nc1ccc(CCc2nc(cc(cc3)C(NCc(ccc(F)c4)c4Cl)=O)c3[nH]2)cc1)=O

InChI

InChI=1S/C25H22ClFN4O2/c1-15(32)29-20-8-2-16(3-9-20)4-11-24-30-22-10-6-17(12-23(22)31-24)25(33)28-14-18-5-7-19(27)13-21(18)26/h2-3,5-10,12-13H,4,11,14H2,1H3,(H,28,33)(H,29,32)(H,30,31)

InChI Key

TTXIFFSWTJHDOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.851

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-4.91

Polar Surface Area

67.924

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F972-0355 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F972-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0355?
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What is the minimum amount of F972-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0355
  • 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 F972-0355 available by request