M789-1071 Screening compound: 1-(4-methylphenyl)-4,4-dioxo-N~3~-phenethyl-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

M789-1071 Screening compound: 1-(4-methylphenyl)-4,4-dioxo-N~3~-phenethyl-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
M789-1071 Screening compound: 1-(4-methylphenyl)-4,4-dioxo-N~3~-phenethyl-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M789-1071
1-(4-methylphenyl)-4,4-dioxo-N~3~-phenethyl-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

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

M789-1071

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

1-(4-methylphenyl)-4,4-dioxo-N~3~-phenethyl-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

IUPAC name

1-(4-methylphenyl)-44-dioxo-N-(2-phenylethyl)-1H-4lambda6-pyrido[23-e][134]thiadiazine-3-carboxamide

SMILES

Cc(cc1)ccc1N(c1c2cccn1)N=C(C(NCCc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C22H20N4O3S/c1-16-9-11-18(12-10-16)26-20-19(8-5-14-23-20)30(28,29)22(25-26)21(27)24-15-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,24,27)

InChI Key

ACQSPFRMQMGZIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.39

Polar Surface Area

76.856

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M789-1071 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M789-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M789-1071?
Check Price and Availability of M789-1071, 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 M789-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-1071
  • 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 M789-1071 available by request