P798-0033 Screening compound: 4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0033 Screening compound: 4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0033 Screening compound: 4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0033
4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

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

P798-0033

Molecular Formula

C13H11N3O3S (C13 H11 N3 O3 S)

Compound Name

4-(3-methoxyphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

IUPAC name

4-(3-methoxyphenyl)-4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

COc1cccc(N(C=N2)c(nccc3)c3S2(=O)=O)c1

InChI

InChI=1S/C13H11N3O3S/c1-19-11-5-2-4-10(8-11)16-9-15-20(17,18)12-6-3-7-14-13(12)16/h2-9H,1H3

InChI Key

VWUQGEVFZZZQMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.14

Polar Surface Area

60.894

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

P798-0033 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P798-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0033?
Check Price and Availability of P798-0033, 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 P798-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0033
  • 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 P798-0033 available by request