8018-2136 Screening compound: (2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}prop-2-enamide

8018-2136 Screening compound: (2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}prop-2-enamide
8018-2136 Screening compound: (2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2136
(2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]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

8018-2136

Molecular Formula

C20H17FN2O (C20 H17 FN2 O)

Compound Name

(2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}prop-2-enamide

IUPAC name

(2E)-3-(4-fluorophenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1F)NCc(cc1)ccc1-n1cccc1

InChI

InChI=1S/C20H17FN2O/c21-18-8-3-16(4-9-18)7-12-20(24)22-15-17-5-10-19(11-6-17)23-13-1-2-14-23/h1-14H,15H2,(H,22,24)

InChI Key

CSVZMXPLDIDPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.43

Polar Surface Area

28.424

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8018-2136 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 8018-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2136?
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What is the minimum amount of 8018-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2136
  • 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 8018-2136 available by request