0054-0200 Screening compound: 4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate

0054-0200 Screening compound: 4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate
0054-0200 Screening compound: 4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0200
4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate

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

0054-0200

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate

IUPAC name

4-cyanophenyl (2E)-3-[4-(pentyloxy)phenyl]prop-2-enoate

SMILES

CCCCCOc1ccc(/C=C/C(Oc(cc2)ccc2C#N)=O)cc1

InChI

InChI=1S/C21H21NO3/c1-2-3-4-15-24-19-10-5-17(6-11-19)9-14-21(23)25-20-12-7-18(16-22)8-13-20/h5-14H,2-4,15H2,1H3

InChI Key

HOKCULKDZLIAMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00859273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.535

Water Solubility, LogSw

-5.30

Polar Surface Area

44.495

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

0054-0200 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0054-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0200?
Check Price and Availability of 0054-0200, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0054-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0200
  • 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 0054-0200 available by request