8014-2633 Screening compound: (2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

8014-2633 Screening compound: (2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
8014-2633 Screening compound: (2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2633
(2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-1,3-benzodiazol-2-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

8014-2633

Molecular Formula

C18H17N3 (C18 H17 N3)

Compound Name

(2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2Z)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1[nH]c(/C(/C#N)=C\C(C1)C3C=CC1C3)n2

InChI

InChI=1S/C18H17N3/c1-11-2-5-16-17(6-11)21-18(20-16)15(10-19)9-14-8-12-3-4-13(14)7-12/h2-6,9,12-14H,7-8H2,1H3,(H,20,21)

InChI Key

ZKASZTPBMXNUTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.35

Polar Surface Area

37.159

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8014-2633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2633?
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What is the minimum amount of 8014-2633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2633
  • 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 8014-2633 available by request