C636-2217 Screening compound: methyl (2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-2217 Screening compound: methyl (2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-2217 Screening compound: methyl (2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2217
methyl (2Z)-2-[(4-fluorophenyl)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

C636-2217

Molecular Formula

C20H17FN2O3S (C20 H17 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(S/C(/N1CCc2ccccc2)=N\c(cc2)ccc2F)=CC1=O)=O

InChI

InChI=1S/C20H17FN2O3S/c1-26-19(25)17-13-18(24)23(12-11-14-5-3-2-4-6-14)20(27-17)22-16-9-7-15(21)8-10-16/h2-10,13H,11-12H2,1H3

InChI Key

SUBYJRFVBVZLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

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

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.07

Polar Surface Area

46.200

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C636-2217 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C636-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2217?
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What is the minimum amount of C636-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2217
  • 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 C636-2217 available by request