3615-0097 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile

3615-0097 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile
3615-0097 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0097
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-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

3615-0097

Molecular Formula

C23H21N5 (C23 H21 N5)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[1-(34-dimethylphenyl)-35-dimethyl-1H-pyrazol-4-yl]prop-2-enenitrile

SMILES

Cc1c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)c(C)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C23H21N5/c1-14-9-10-19(11-15(14)2)28-17(4)20(16(3)27-28)12-18(13-24)23-25-21-7-5-6-8-22(21)26-23/h5-12H,1-4H3,(H,25,26)

InChI Key

SKJWZJNBVCKCBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648578

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.45

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

4.923

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.69

Polar Surface Area

50.732

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3615-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0097?
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What is the minimum amount of 3615-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0097
  • 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 3615-0097 available by request