M789-1056 Screening compound: N~3~-(4-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

M789-1056 Screening compound: N~3~-(4-methylbenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
M789-1056 Screening compound: N~3~-(4-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 M789-1056
N~3~-(4-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

M789-1056

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

SMILES

Cc1ccc(CNC(C2=NN(c3ccc(C)cc3)c(nccc3)c3S2(=O)=O)=O)cc1

InChI

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

InChI Key

NCIYRNDVERNQSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554293

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

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.50

Polar Surface Area

77.014

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M789-1056 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M789-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of M789-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-1056
  • 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 M789-1056 available by request