3379-3431 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

3379-3431 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
3379-3431 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3431
(2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

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

3379-3431

Molecular Formula

C22H25NO2 (C22 H25 NO2)

Compound Name

(2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

IUPAC name

(2E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide

SMILES

COc1ccc(/C=C/C(NCC2(CCCC2)c2ccccc2)=O)cc1

InChI

InChI=1S/C22H25NO2/c1-25-20-12-9-18(10-13-20)11-14-21(24)23-17-22(15-5-6-16-22)19-7-3-2-4-8-19/h2-4,7-14H,5-6,15-17H2,1H3,(H,23,24)

InChI Key

FDQKQZXEGPCBBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01898001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.62

Polar Surface Area

32.269

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3379-3431 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3379-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3431?
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What is the minimum amount of 3379-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3431
  • 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 3379-3431 available by request