C201-0376 Screening compound: methyl 1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate

C201-0376 Screening compound: methyl 1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate
C201-0376 Screening compound: methyl 1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0376
methyl 1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-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

C201-0376

Molecular Formula

C10H9F3N2O4S (C10 H9 F3 N2 O4 S)

Compound Name

methyl 1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate

IUPAC name

methyl 11-dioxo-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxylate

SMILES

COC(C(Nc1c2ccc(C(F)(F)F)c1)NS2(=O)=O)=O

InChI

InChI=1S/C10H9F3N2O4S/c1-19-9(16)8-14-6-4-5(10(11,12)13)2-3-7(6)20(17,18)15-8/h2-4,8,14-15H,1H3/t8-/m0/s1

InChI Key

OERJLZSWVVSBQP-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD09248506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.978

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-2.21

Polar Surface Area

73.546

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C201-0376 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0376?
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What is the minimum amount of C201-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0376
  • 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 C201-0376 available by request