C636-0284 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-0284 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-0284 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-0284
methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-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

C636-0284

Molecular Formula

C20H14ClFN2O5S (C20 H14 ClFN2 O5 S)

Compound Name

methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-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-[(3-chloro-4-fluorophenyl)imino]-4-oxo-34-dihydro-2H-13-thiazine-6-carboxylate

SMILES

COC(C(S/C(/N1Cc(cc2)cc3c2OCO3)=N\c(cc2)cc(Cl)c2F)=CC1=O)=O

InChI

InChI=1S/C20H14ClFN2O5S/c1-27-19(26)17-8-18(25)24(9-11-2-5-15-16(6-11)29-10-28-15)20(30-17)23-12-3-4-14(22)13(21)7-12/h2-8H,9-10H2,1H3

InChI Key

PFIPZXXQTWUFKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.86

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

4.410

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.56

Polar Surface Area

63.337

Acid Dissociation Constant (pKa)

31.93

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C636-0284 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C636-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-0284?
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What is the minimum amount of C636-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-0284
  • 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 C636-0284 available by request