C200-3151 Screening compound: methyl 1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate

C200-3151 Screening compound: methyl 1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate
C200-3151 Screening compound: methyl 1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3151
methyl 1,1-dioxo-1,2-dihydro-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

C200-3151

Molecular Formula

C9H8N2O4S (C9 H8 N2 O4 S)

Compound Name

methyl 1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxylate

IUPAC name

methyl 11-dioxo-2H-1lambda624-benzothiadiazine-3-carboxylate

SMILES

COC(C(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C9H8N2O4S/c1-15-9(12)8-10-6-4-2-3-5-7(6)16(13,14)11-8/h2-5H,1H3,(H,10,11)

InChI Key

RBUIIACICBXIQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.103

Distribution Coefficient, logD

-5.280

Water Solubility, LogSw

-2.29

Polar Surface Area

72.060

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

C200-3151 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C200-3151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3151?
Check Price and Availability of C200-3151, 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 C200-3151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3151
  • 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 C200-3151 available by request