8019-7649 Screening compound: 2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl acetate

8019-7649 Screening compound: 2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl acetate
8019-7649 Screening compound: 2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7649
2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl 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

8019-7649

Molecular Formula

C9H9NO4S2 (C9 H9 NO4 S2)

Compound Name

2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl acetate

IUPAC name

2-methyl-11-dioxo-2H-1lambda6-thieno[23-e][12]thiazin-4-yl acetate

SMILES

CC(OC(c1c2ccs1)=CN(C)S2(=O)=O)=O

InChI

InChI=1S/C9H9NO4S2/c1-6(11)14-7-5-10(2)16(12,13)8-3-4-15-9(7)8/h3-5H,1-2H3

InChI Key

FQZBGCJSPHLEQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.751

Distribution Coefficient, logD

0.751

Water Solubility, LogSw

-2.05

Polar Surface Area

53.849

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

-9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8019-7649 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-7649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7649?
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What is the minimum amount of 8019-7649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7649
  • 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 8019-7649 available by request