V018-5830 Screening compound: methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V018-5830 Screening compound: methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V018-5830 Screening compound: methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5830
methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

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

V018-5830

Molecular Formula

C20H16FNO5S (C20 H16 FNO5 S)

Compound Name

methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

methyl (5E)-2-[(4-fluorophenyl)amino]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

COC(C(C1=O)=C(Nc(cc2)ccc2F)S/C1=C/c(cc1)cc(O)c1OC)=O

InChI

InChI=1S/C20H16FNO5S/c1-26-15-8-3-11(9-14(15)23)10-16-18(24)17(20(25)27-2)19(28-16)22-13-6-4-12(21)5-7-13/h3-10,22-23H,1-2H3

InChI Key

RESMWQZVWLJHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880309

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.68

Polar Surface Area

66.716

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V018-5830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5830?
Check Price and Availability of V018-5830, 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 V018-5830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5830
  • 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 V018-5830 available by request