C636-0285 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-0285 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-0285 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-0285
methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-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

C636-0285

Molecular Formula

C20H15FN2O5S (C20 H15 FN2 O5 S)

Compound Name

methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

IUPAC name

methyl (2Z)-3-[(2H-13-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-34-dihydro-2H-13-thiazine-6-carboxylate

SMILES

COC(C(S/C(/N1Cc(cc2)cc3c2OCO3)=N\c(cc2)ccc2F)=CC1=O)=O

InChI

InChI=1S/C20H15FN2O5S/c1-26-19(25)17-9-18(24)23(10-12-2-7-15-16(8-12)28-11-27-15)20(29-17)22-14-5-3-13(21)4-6-14/h2-9H,10-11H2,1H3

InChI Key

DWHQGKVVKSLONA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.97

Polar Surface Area

63.337

Acid Dissociation Constant (pKa)

31.93

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C636-0285 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C636-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-0285?
Check Price and Availability of C636-0285, 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 C636-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-0285
  • 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 C636-0285 available by request