M789-0640 Screening compound: 1-(4-chlorophenyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione

M789-0640 Screening compound: 1-(4-chlorophenyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione
M789-0640 Screening compound: 1-(4-chlorophenyl)-3-[(4-methylpiperidino)carbonyl]-4lambda~6~-pyrido[2,3-e][1,3,4]thiadiazine-4,4(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M789-0640
1-(4-chlorophenyl)-3-[(4-methylpiperidino)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

M789-0640

Molecular Formula

C19H19ClN4O3S (C19 H19 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(C1=NN(c(cc2)ccc2Cl)c2ncccc2S1(=O)=O)=O

InChI

InChI=1S/C19H19ClN4O3S/c1-13-8-11-23(12-9-13)19(25)18-22-24(15-6-4-14(20)5-7-15)17-16(28(18,26)27)3-2-10-21-17/h2-7,10,13H,8-9,11-12H2,1H3

InChI Key

NBSORNFEYGBWNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.917

Water Solubility, LogSw

-3.37

Polar Surface Area

69.249

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M789-0640 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M789-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M789-0640?
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What is the minimum amount of M789-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M789-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M789-0640
  • 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 M789-0640 available by request