V015-5610 Screening compound: methyl (5E)-2-[(2-fluorophenyl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V015-5610 Screening compound: methyl (5E)-2-[(2-fluorophenyl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V015-5610 Screening compound: methyl (5E)-2-[(2-fluorophenyl)amino]-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5610
methyl (5E)-2-[(2-fluorophenyl)amino]-5-[(4-nitrophenyl)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

V015-5610

Molecular Formula

C19H13FN2O5S (C19 H13 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1=O)=C(Nc(cccc2)c2F)S/C1=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C19H13FN2O5S/c1-27-19(24)16-17(23)15(10-11-6-8-12(9-7-11)22(25)26)28-18(16)21-14-5-3-2-4-13(14)20/h2-10,21H,1H3

InChI Key

IAGVWJSWHRXCMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.41

Polar Surface Area

75.221

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with V015-5610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5610?
Check Price and Availability of V015-5610, 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 V015-5610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5610
  • 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 V015-5610 available by request