V015-7102 Screening compound: ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V015-7102 Screening compound: ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V015-7102 Screening compound: ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7102
ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)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

V015-7102

Molecular Formula

C21H18ClNO4S (C21 H18 ClNO4 S)

Compound Name

ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-2-[(3-chlorophenyl)amino]-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2cccc(Cl)c2)S/C1=C/c(cccc1C)c1O)=O

InChI

InChI=1S/C21H18ClNO4S/c1-3-27-21(26)17-19(25)16(10-13-7-4-6-12(2)18(13)24)28-20(17)23-15-9-5-8-14(22)11-15/h4-11,23-24H,3H2,1-2H3

InChI Key

LSOOIHZGXSXXBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880665

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

5.635

Water Solubility, LogSw

-5.68

Polar Surface Area

57.596

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V015-7102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7102?
Check Price and Availability of V015-7102, 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 V015-7102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7102
  • 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 V015-7102 available by request