M831-0318 Screening compound: tert-butyl 1-(4-chlorophenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylate

M831-0318 Screening compound: tert-butyl 1-(4-chlorophenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylate
M831-0318 Screening compound: tert-butyl 1-(4-chlorophenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M831-0318
tert-butyl 1-(4-chlorophenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-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

M831-0318

Molecular Formula

C17H16ClN3O4S (C17 H16 ClN3 O4 S)

Compound Name

tert-butyl 1-(4-chlorophenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylate

IUPAC name

tert-butyl 1-(4-chlorophenyl)-44-dioxo-1H-4lambda6-pyrido[23-e][134]thiadiazine-3-carboxylate

SMILES

CC(C)(C)OC(C1=NN(c(cc2)ccc2Cl)c2ncccc2S1(=O)=O)=O

InChI

InChI=1S/C17H16ClN3O4S/c1-17(2,3)25-16(22)15-20-21(12-8-6-11(18)7-9-12)14-13(26(15,23)24)5-4-10-19-14/h4-10H,1-3H3

InChI Key

MEBZGLSYGRXCPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.90

Polar Surface Area

72.464

Acid Dissociation Constant (pKa)

31.03

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M831-0318 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M831-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M831-0318?
Check Price and Availability of M831-0318, 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 M831-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M831-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M831-0318
  • 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 M831-0318 available by request