8011-4143 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

8011-4143 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
8011-4143 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4143
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

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

8011-4143

Molecular Formula

C21H17N5 (C21 H17 N5)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[1-(34-dimethylphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

SMILES

Cc(cc1)c(C)cc1-n1ncc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)c1

InChI

InChI=1S/C21H17N5/c1-14-7-8-18(9-15(14)2)26-13-16(12-23-26)10-17(11-22)21-24-19-5-3-4-6-20(19)25-21/h3-10,12-13H,1-2H3,(H,24,25)

InChI Key

FUQLHKVFARPEFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.42

Polar Surface Area

50.672

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8011-4143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4143?
Check Price and Availability of 8011-4143, 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 8011-4143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4143
  • 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 8011-4143 available by request