M789-0030 Screening compound: 1-phenyl-3-[(4-phenylpiperazino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione

M789-0030 Screening compound: 1-phenyl-3-[(4-phenylpiperazino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
M789-0030 Screening compound: 1-phenyl-3-[(4-phenylpiperazino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M789-0030
1-phenyl-3-[(4-phenylpiperazino)carbonyl]-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

M789-0030

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

1-phenyl-3-[(4-phenylpiperazino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione

IUPAC name

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

SMILES

O=C(C1=NN(c2ccccc2)c(nccc2)c2S1(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H21N5O3S/c29-23(27-16-14-26(15-17-27)18-8-3-1-4-9-18)22-25-28(19-10-5-2-6-11-19)21-20(32(22,30)31)12-7-13-24-21/h1-13H,14-17H2

InChI Key

CRKLCGPFSWBZOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.53

Polar Surface Area

72.510

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M789-0030 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M789-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M789-0030?
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What is the minimum amount of M789-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-0030
  • 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 M789-0030 available by request