M789-0087 Screening compound: 1-(4-methylphenyl)-3-(morpholinocarbonyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione

M789-0087 Screening compound: 1-(4-methylphenyl)-3-(morpholinocarbonyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
M789-0087 Screening compound: 1-(4-methylphenyl)-3-(morpholinocarbonyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M789-0087
1-(4-methylphenyl)-3-(morpholinocarbonyl)-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-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

M789-0087

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

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

IUPAC name

1-(4-methylphenyl)-3-(morpholine-4-carbonyl)-1H-4lambda6-pyrido[23-e][134]thiadiazine-44-dione

SMILES

Cc(cc1)ccc1N(c1c2cccn1)N=C(C(N1CCOCC1)=O)S2(=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-13-4-6-14(7-5-13)22-16-15(3-2-8-19-16)27(24,25)17(20-22)18(23)21-9-11-26-12-10-21/h2-8H,9-12H2,1H3

InChI Key

WJSIAZUVJPUVBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.256

Distribution Coefficient, logD

1.256

Water Solubility, LogSw

-2.10

Polar Surface Area

77.158

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

M789-0087 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M789-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M789-0087?
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What is the minimum amount of M789-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-0087
  • 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 M789-0087 available by request