F867-0229 Screening compound: (E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenyl-2-propenamide

F867-0229 Screening compound: (E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenyl-2-propenamide
F867-0229 Screening compound: (E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F867-0229
(E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenyl-2-propenamide

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

F867-0229

Molecular Formula

C21H20N2O (C21 H20 N2 O)

Compound Name

(E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenyl-2-propenamide

IUPAC name

(2E)-N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NCc1cccn1Cc1ccccc1

InChI

InChI=1S/C21H20N2O/c24-21(14-13-18-8-3-1-4-9-18)22-16-20-12-7-15-23(20)17-19-10-5-2-6-11-19/h1-15H,16-17H2,(H,22,24)

InChI Key

FYNUPCXERMUYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.41

Polar Surface Area

26.509

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

F867-0229 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F867-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F867-0229?
Check Price and Availability of F867-0229, 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 F867-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F867-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F867-0229
  • 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 F867-0229 available by request