C636-0283 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-0283 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-0283 Screening compound: methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-0283
methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]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

C636-0283

Molecular Formula

C23H20N2O7S (C23 H20 N2 O7 S)

Compound Name

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

SMILES

CCOC(c(cc1)ccc1/N=C(/N1Cc(cc2)cc3c2OCO3)\SC(C(OC)=O)=CC1=O)=O

InChI

InChI=1S/C23H20N2O7S/c1-3-30-21(27)15-5-7-16(8-6-15)24-23-25(20(26)11-19(33-23)22(28)29-2)12-14-4-9-17-18(10-14)32-13-31-17/h4-11H,3,12-13H2,1-2H3

InChI Key

BPKFVEYHURNAKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.39

Polar Surface Area

84.090

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C636-0283 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 C636-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-0283?
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What is the minimum amount of C636-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-0283
  • 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 C636-0283 available by request