F972-0249 Screening compound: 2-[2-(4-acetamidophenyl)ethyl]-N-(3-methylbutyl)-1H-1,3-benzodiazole-5-carboxamide

F972-0249 Screening compound: 2-[2-(4-acetamidophenyl)ethyl]-N-(3-methylbutyl)-1H-1,3-benzodiazole-5-carboxamide
F972-0249 Screening compound: 2-[2-(4-acetamidophenyl)ethyl]-N-(3-methylbutyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0249
2-[2-(4-acetamidophenyl)ethyl]-N-(3-methylbutyl)-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

F972-0249

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

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

IUPAC name

2-[2-(4-acetamidophenyl)ethyl]-N-(3-methylbutyl)-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc2c1[nH]c(CCc(cc1)ccc1NC(C)=O)n2)=O

InChI

InChI=1S/C23H28N4O2/c1-15(2)12-13-24-23(29)18-7-10-20-21(14-18)27-22(26-20)11-6-17-4-8-19(9-5-17)25-16(3)28/h4-5,7-10,14-15H,6,11-13H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)

InChI Key

XDOXGINEECVKJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

3.855

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.08

Polar Surface Area

68.037

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F972-0249 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 F972-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0249?
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What is the minimum amount of F972-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0249
  • 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 F972-0249 available by request