F972-0154 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

F972-0154 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
F972-0154 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0154
N-{[4-(methylsulfanyl)phenyl]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

F972-0154

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(4-propanamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CCC(Nc1ccc(CCc2nc(cc(cc3)C(NCc(cc4)ccc4SC)=O)c3[nH]2)cc1)=O

InChI

InChI=1S/C27H28N4O2S/c1-3-26(32)29-21-10-4-18(5-11-21)8-15-25-30-23-14-9-20(16-24(23)31-25)27(33)28-17-19-6-12-22(34-2)13-7-19/h4-7,9-14,16H,3,8,15,17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)

InChI Key

QKIFYJNMZBDYOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.055

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-4.71

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

22.20

F972-0154 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F972-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0154?
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What is the minimum amount of F972-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0154
  • 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 F972-0154 available by request