1683-6344 Screening compound: methyl (2E)-3-[(4-fluorophenyl)formamido]but-2-enoate

1683-6344 Screening compound: methyl (2E)-3-[(4-fluorophenyl)formamido]but-2-enoate
1683-6344 Screening compound: methyl (2E)-3-[(4-fluorophenyl)formamido]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6344
methyl (2E)-3-[(4-fluorophenyl)formamido]but-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

1683-6344

Molecular Formula

C12H12FNO3 (C12 H12 FNO3)

Compound Name

methyl (2E)-3-[(4-fluorophenyl)formamido]but-2-enoate

IUPAC name

methyl (2E)-3-[(4-fluorophenyl)formamido]but-2-enoate

SMILES

C/C(/NC(c(cc1)ccc1F)=O)=C\C(OC)=O

InChI

InChI=1S/C12H12FNO3/c1-8(7-11(15)17-2)14-12(16)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,16)

InChI Key

ICSKHOAUBCCXPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

-1.544

Water Solubility, LogSw

-2.03

Polar Surface Area

42.824

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1683-6344 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1683-6344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6344?
Check Price and Availability of 1683-6344, 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 1683-6344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6344
  • 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 1683-6344 available by request