8014-6801 Screening compound: methyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate

8014-6801 Screening compound: methyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
8014-6801 Screening compound: methyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6801
methyl 3,7-dimethyl-4H-1,4-benzothiazine-2-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

8014-6801

Molecular Formula

C12H13NO2S (C12 H13 NO2 S)

Compound Name

methyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate

IUPAC name

methyl 37-dimethyl-4H-14-benzothiazine-2-carboxylate

SMILES

Cc(cc1)cc2c1NC(C)=C(C(OC)=O)S2

InChI

InChI=1S/C12H13NO2S/c1-7-4-5-9-10(6-7)16-11(8(2)13-9)12(14)15-3/h4-6,13H,1-3H3

InChI Key

OBDZJZFSLSGMJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.28

Polar Surface Area

32.148

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8014-6801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6801?
Check Price and Availability of 8014-6801, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-6801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6801
  • 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 8014-6801 available by request