F972-0018 Screening compound: N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

F972-0018 Screening compound: N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
F972-0018 Screening compound: N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0018
N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)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

F972-0018

Molecular Formula

C26H25ClN4O2 (C26 H25 ClN4 O2)

Compound Name

N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CCC(Nc1ccc(CCc2nc(cc(cc3)C(NCc(cc4)ccc4Cl)=O)c3[nH]2)cc1)=O

InChI

InChI=1S/C26H25ClN4O2/c1-2-25(32)29-21-11-5-17(6-12-21)7-14-24-30-22-13-8-19(15-23(22)31-24)26(33)28-16-18-3-9-20(27)10-4-18/h3-6,8-13,15H,2,7,14,16H2,1H3,(H,28,33)(H,29,32)(H,30,31)

InChI Key

MBOMPSWDIYPDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-4.98

Polar Surface Area

67.811

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F972-0018 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 F972-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0018?
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What is the minimum amount of F972-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0018
  • 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 F972-0018 available by request