D170-0200 Screening compound: 2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-enenitrile

D170-0200 Screening compound: 2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-enenitrile
D170-0200 Screening compound: 2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0200
2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-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

D170-0200

Molecular Formula

C16H19NO2 (C16 H19 NO2)

Compound Name

2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-enenitrile

IUPAC name

2-(34-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-enenitrile

SMILES

COc(ccc(C(CC=C)(CC=C)C#N)c1)c1OC

InChI

InChI=1S/C16H19NO2/c1-5-9-16(12-17,10-6-2)13-7-8-14(18-3)15(11-13)19-4/h5-8,11H,1-2,9-10H2,3-4H3

InChI Key

WBKOLEXBLIOIIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.08

Polar Surface Area

32.555

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D170-0200 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D170-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0200?
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What is the minimum amount of D170-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0200
  • 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 D170-0200 available by request