6186-2754 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

6186-2754 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
6186-2754 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-2754
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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

6186-2754

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-(345-trimethoxyphenyl)prop-2-enenitrile

SMILES

COc1cc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cc(OC)c1OC

InChI

InChI=1S/C19H17N3O3/c1-23-16-9-12(10-17(24-2)18(16)25-3)8-13(11-20)19-21-14-6-4-5-7-15(14)22-19/h4-10H,1-3H3,(H,21,22)

InChI Key

IRCJYYYXCYDADO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00701205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-3.73

Polar Surface Area

59.292

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6186-2754 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 6186-2754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-2754?
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What is the minimum amount of 6186-2754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-2754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-2754
  • 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 6186-2754 available by request