F972-0302 Screening compound: N-(2,5-diethoxyphenyl)-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

F972-0302 Screening compound: N-(2,5-diethoxyphenyl)-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
F972-0302 Screening compound: N-(2,5-diethoxyphenyl)-2-[2-(4-acetamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0302
N-(2,5-diethoxyphenyl)-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

F972-0302

Molecular Formula

C28H30N4O4 (C28 H30 N4 O4)

Compound Name

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

IUPAC name

N-(25-diethoxyphenyl)-2-[2-(4-acetamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

CCOc(cc1)cc(NC(c(cc2)cc3c2[nH]c(CCc(cc2)ccc2NC(C)=O)n3)=O)c1OCC

InChI

InChI=1S/C28H30N4O4/c1-4-35-22-12-14-26(36-5-2)25(17-22)32-28(34)20-9-13-23-24(16-20)31-27(30-23)15-8-19-6-10-21(11-7-19)29-18(3)33/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H,29,33)(H,30,31)(H,32,34)

InChI Key

XMBSXZKPAPEPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.56

Polar Surface Area

80.238

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F972-0302 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Immunological Library (6760 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F972-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0302?
Check Price and Availability of F972-0302, 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 F972-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0302
  • 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 F972-0302 available by request