8017-6384 Screening compound: 3-acetyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-2-carboxylic acid

8017-6384 Screening compound: 3-acetyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-2-carboxylic acid
8017-6384 Screening compound: 3-acetyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6384
3-acetyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-2-carboxylic acid

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

8017-6384

Molecular Formula

C11H13NO3S (C11 H13 NO3 S)

Compound Name

3-acetyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-2-carboxylic acid

IUPAC name

3-acetyl-5678-tetrahydro-4H-14-benzothiazine-2-carboxylic acid

SMILES

CC(C1=C(C(O)=O)SC(CCCC2)=C2N1)=O

InChI

InChI=1S/C11H13NO3S/c1-6(13)9-10(11(14)15)16-8-5-3-2-4-7(8)12-9/h12H,2-5H2,1H3,(H,14,15)

InChI Key

MCZAXOXJNFRUEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.064

Distribution Coefficient, logD

-2.493

Water Solubility, LogSw

-1.62

Polar Surface Area

53.681

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

-8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8017-6384 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-6384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6384?
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What is the minimum amount of 8017-6384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6384
  • 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 8017-6384 available by request