5842-1132 Screening compound: (2Z)-3-(6-ethoxy-2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

5842-1132 Screening compound: (2Z)-3-(6-ethoxy-2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
5842-1132 Screening compound: (2Z)-3-(6-ethoxy-2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5842-1132
(2Z)-3-(6-ethoxy-2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]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

5842-1132

Molecular Formula

C19H14F3NO3 (C19 H14 F3 NO3)

Compound Name

(2Z)-3-(6-ethoxy-2H-1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

IUPAC name

(2Z)-3-(6-ethoxy-2H-13-benzodioxol-5-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

SMILES

CCOc1c(/C=C(/c2ccc(C(F)(F)F)cc2)\C#N)cc2OCOc2c1

InChI

InChI=1S/C19H14F3NO3/c1-2-24-16-9-18-17(25-11-26-18)8-13(16)7-14(10-23)12-3-5-15(6-4-12)19(20,21)22/h3-9H,2,11H2,1H3

InChI Key

CUZWAFWAUBVVCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03995737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.56

Polar Surface Area

41.349

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5842-1132 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5842-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5842-1132?
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What is the minimum amount of 5842-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5842-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5842-1132
  • 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 5842-1132 available by request