8015-7683 Screening compound: methyl 3-(4-chlorophenethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

8015-7683 Screening compound: methyl 3-(4-chlorophenethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
8015-7683 Screening compound: methyl 3-(4-chlorophenethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7683
methyl 3-(4-chlorophenethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-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

8015-7683

Molecular Formula

C21H16ClF3N2O3S (C21 H16 ClF3 N2 O3 S)

Compound Name

methyl 3-(4-chlorophenethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

IUPAC name

n/a

SMILES

COC(C(S/C(/N1CCc(cc2)ccc2Cl)=N\c2cc(C(F)(F)F)ccc2)=CC1=O)=O

InChI

InChI=1S/C21H16ClF3N2O3S/c1-30-19(29)17-12-18(28)27(10-9-13-5-7-15(22)8-6-13)20(31-17)26-16-4-2-3-14(11-16)21(23,24)25/h2-8,11-12H,9-10H2,1H3

InChI Key

ZKJXZONZHUWWTL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-6.03

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8015-7683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7683?
Check Price and Availability of 8015-7683, 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 8015-7683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7683
  • 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 8015-7683 available by request