M789-1064 Screening compound: N~3~-(2-chlorobenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

M789-1064 Screening compound: N~3~-(2-chlorobenzyl)-1-(4-methylphenyl)-4,4-dioxo-1,4-dihydro-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
M789-1064 Screening compound: N~3~-(2-chlorobenzyl)-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 M789-1064
N~3~-(2-chlorobenzyl)-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

M789-1064

Molecular Formula

C21H17ClN4O3S (C21 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(c1c2cccn1)N=C(C(NCc(cccc1)c1Cl)=O)S2(=O)=O

InChI

InChI=1S/C21H17ClN4O3S/c1-14-8-10-16(11-9-14)26-19-18(7-4-12-23-19)30(28,29)21(25-26)20(27)24-13-15-5-2-3-6-17(15)22/h2-12H,13H2,1H3,(H,24,27)

InChI Key

DQNAKAIRVOEDJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

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

3.610

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.71

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

9.50

M789-1064 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with M789-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M789-1064?
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What is the minimum amount of M789-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-1064
  • 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 M789-1064 available by request