C636-2224 Screening compound: methyl (2Z)-2-[(3,4-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-2224 Screening compound: methyl (2Z)-2-[(3,4-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-2224 Screening compound: methyl (2Z)-2-[(3,4-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2224
methyl (2Z)-2-[(3,4-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-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

C636-2224

Molecular Formula

C20H16F2N2O3S (C20 H16 F2 N2 O3 S)

Compound Name

methyl (2Z)-2-[(3,4-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

IUPAC name

methyl (2Z)-2-[(34-difluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-34-dihydro-2H-13-thiazine-6-carboxylate

SMILES

COC(C(S/C(/N1CCc2ccccc2)=N\c(cc2)cc(F)c2F)=CC1=O)=O

InChI

InChI=1S/C20H16F2N2O3S/c1-27-19(26)17-12-18(25)24(10-9-13-5-3-2-4-6-13)20(28-17)23-14-7-8-15(21)16(22)11-14/h2-8,11-12H,9-10H2,1H3

InChI Key

TXWFFQDYQNXAGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.39

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C636-2224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2224?
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What is the minimum amount of C636-2224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2224
  • 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 C636-2224 available by request