M789-1078 Screening compound: N~3~-(2-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

M789-1078 Screening compound: N~3~-(2-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
M789-1078 Screening compound: N~3~-(2-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M789-1078
N~3~-(2-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-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

M789-1078

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(c1c2cccn1)N=C(C(NCc1c(C)cccc1)=O)S2(=O)=O

InChI

InChI=1S/C22H20N4O3S/c1-15-9-11-18(12-10-15)26-20-19(8-5-13-23-20)30(28,29)22(25-26)21(27)24-14-17-7-4-3-6-16(17)2/h3-13H,14H2,1-2H3,(H,24,27)

InChI Key

FDSWASSDXGMYOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554305

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-3.77

Polar Surface Area

77.014

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M789-1078 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M789-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of M789-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-1078
  • 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 M789-1078 available by request