1309-0022 Screening compound: (2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

1309-0022 Screening compound: (2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide
1309-0022 Screening compound: (2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0022
(2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)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

1309-0022

Molecular Formula

C21H21FN2O3 (C21 H21 FN2 O3)

Compound Name

(2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

IUPAC name

(2Z)-3-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]-2-(phenylformamido)prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1F)NCC1OCCC1

InChI

InChI=1S/C21H21FN2O3/c22-18-11-5-4-9-16(18)13-19(21(26)23-14-17-10-6-12-27-17)24-20(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,17H,6,10,12,14H2,(H,23,26)(H,24,25)/t17-/m1/s1

InChI Key

SRHPCYJVKVELMI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00770405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

0.633

Water Solubility, LogSw

-2.78

Polar Surface Area

55.231

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1309-0022 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1309-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0022?
Check Price and Availability of 1309-0022, 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 1309-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0022
  • 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 1309-0022 available by request