C636-2182 Screening compound: methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-(2-thienylmethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

C636-2182 Screening compound: methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-(2-thienylmethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
C636-2182 Screening compound: methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-(2-thienylmethyl)-3,4-dihydro-2H-1,3-thiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2182
methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-(2-thienylmethyl)-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

C636-2182

Molecular Formula

C17H13FN2O3S2 (C17 H13 FN2 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

COC(C(S/C(/N1Cc2cccs2)=N\c(cc2)ccc2F)=CC1=O)=O

InChI

InChI=1S/C17H13FN2O3S2/c1-23-16(22)14-9-15(21)20(10-13-3-2-8-24-13)17(25-14)19-12-6-4-11(18)5-7-12/h2-9H,10H2,1H3

InChI Key

JSSZULGYNPPYIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.66

Polar Surface Area

47.240

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

C636-2182 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C636-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2182?
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What is the minimum amount of C636-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2182
  • 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 C636-2182 available by request