8010-3985 Screening compound: methyl 3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazine-2-carboxylate

8010-3985 Screening compound: methyl 3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazine-2-carboxylate
8010-3985 Screening compound: methyl 3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3985
methyl 3-methyl-6-(trifluoromethyl)-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

8010-3985

Molecular Formula

C12H10F3NO2S (C12 H10 F3 NO2 S)

Compound Name

methyl 3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazine-2-carboxylate

IUPAC name

methyl 3-methyl-6-(trifluoromethyl)-4H-14-benzothiazine-2-carboxylate

SMILES

CC1=C(C(OC)=O)Sc(ccc(C(F)(F)F)c2)c2N1

InChI

InChI=1S/C12H10F3NO2S/c1-6-10(11(17)18-2)19-9-4-3-7(12(13,14)15)5-8(9)16-6/h3-5,16H,1-2H3

InChI Key

SDLBCBMTASDLAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-4.11

Polar Surface Area

32.148

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8010-3985 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-3985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3985?
Check Price and Availability of 8010-3985, 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 8010-3985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3985
  • 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 8010-3985 available by request