8006-9932 Screening compound: 2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-1,3-benzodiazol-2-yl]phenyl}prop-2-enamide

8006-9932 Screening compound: 2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-1,3-benzodiazol-2-yl]phenyl}prop-2-enamide
8006-9932 Screening compound: 2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-1,3-benzodiazol-2-yl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9932
2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-1,3-benzodiazol-2-yl]phenyl}prop-2-enamide

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

8006-9932

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-1,3-benzodiazol-2-yl]phenyl}prop-2-enamide

IUPAC name

2-methyl-N-{4-[5-(2-methylprop-2-enoyl)-1H-13-benzodiazol-2-yl]phenyl}prop-2-enamide

SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-12(2)19(25)15-7-10-17-18(11-15)24-20(23-17)14-5-8-16(9-6-14)22-21(26)13(3)4/h5-11H,1,3H2,2,4H3,(H,22,26)(H,23,24)

InChI Key

CWFWIHBAELDTDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.37

Polar Surface Area

56.359

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8006-9932 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-9932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9932?
Check Price and Availability of 8006-9932, 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 8006-9932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9932
  • 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 8006-9932 available by request