F972-0713 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]ethyl}-1H-1,3-benzodiazole-5-carboxamide

F972-0713 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]ethyl}-1H-1,3-benzodiazole-5-carboxamide
F972-0713 Screening compound: N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]ethyl}-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F972-0713
N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]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

F972-0713

Molecular Formula

C28H30N4O3 (C28 H30 N4 O3)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]ethyl}-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-{2-[4-(2-methylpropanamido)phenyl]ethyl}-1H-13-benzodiazole-5-carboxamide

SMILES

CC(C)C(Nc1ccc(CCc2nc(cc(cc3)C(Nc(cc(C)cc4)c4OC)=O)c3[nH]2)cc1)=O

InChI

InChI=1S/C28H30N4O3/c1-17(2)27(33)29-21-10-6-19(7-11-21)8-14-26-30-22-12-9-20(16-23(22)31-26)28(34)32-24-15-18(3)5-13-25(24)35-4/h5-7,9-13,15-17H,8,14H2,1-4H3,(H,29,33)(H,30,31)(H,32,34)

InChI Key

SXHLALUWYZPIQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-4.95

Polar Surface Area

73.635

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F972-0713 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F972-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F972-0713?
Check Price and Availability of F972-0713, 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 F972-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F972-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F972-0713
  • 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 F972-0713 available by request