7218-1453 Screening compound: methyl 2-{[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate

7218-1453 Screening compound: methyl 2-{[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate
7218-1453 Screening compound: methyl 2-{[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7218-1453
methyl 2-{[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate

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

7218-1453

Molecular Formula

C16H16N2O5S2 (C16 H16 N2 O5 S2)

Compound Name

methyl 2-{[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[5-cyano-2-(34-dimethoxyphenyl)-4-oxo-34-dihydro-2H-13-thiazin-6-yl]sulfanyl}acetate

SMILES

COC(CSC(SC(c(cc1)cc(OC)c1OC)NC1=O)=C1C#N)=O

InChI

InChI=1S/C16H16N2O5S2/c1-21-11-5-4-9(6-12(11)22-2)15-18-14(20)10(7-17)16(25-15)24-8-13(19)23-3/h4-6,15H,8H2,1-3H3,(H,18,20)/t15-/m0/s1

InChI Key

DICYQMKXWPBNLI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14712422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.53

Polar Surface Area

77.702

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 7218-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7218-1453?
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What is the minimum amount of 7218-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7218-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7218-1453
  • 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 7218-1453 available by request