F972-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

F972-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
F972-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0001
N-[(3-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

F972-0001

Molecular Formula

C26H25ClN4O2 (C26 H25 ClN4 O2)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-2-[2-(4-propanamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CCC(Nc1ccc(CCc2nc(cc(cc3)C(NCc4cccc(Cl)c4)=O)c3[nH]2)cc1)=O

InChI

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

InChI Key

HAKCOXFFRVEWBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206274

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

5.033

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.09

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

F972-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F972-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0001?
Check Price and Availability of F972-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F972-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0001
  • 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 F972-0001 available by request