V018-5865 Screening compound: methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V018-5865 Screening compound: methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V018-5865 Screening compound: methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5865
methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-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

V018-5865

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

methyl (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

Cc(cc1)ccc1NC(S/C1=C/c(cc2)ccc2N(C)C)=C(C(OC)=O)C1=O

InChI

InChI=1S/C22H22N2O3S/c1-14-5-9-16(10-6-14)23-21-19(22(26)27-4)20(25)18(28-21)13-15-7-11-17(12-8-15)24(2)3/h5-13,23H,1-4H3

InChI Key

DAXMWSBXCMQXSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880353

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.59

Polar Surface Area

45.342

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V018-5865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5865?
Check Price and Availability of V018-5865, 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 V018-5865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5865
  • 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 V018-5865 available by request