M777-0038 Screening compound: 3,4,5-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-1,6-dihydropyridazin-4-yl]benzamide

M777-0038 Screening compound: 3,4,5-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-1,6-dihydropyridazin-4-yl]benzamide
M777-0038 Screening compound: 3,4,5-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-1,6-dihydropyridazin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M777-0038
3,4,5-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-1,6-dihydropyridazin-4-yl]benzamide

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

M777-0038

Molecular Formula

C20H26N4O5 (C20 H26 N4 O5)

Compound Name

3,4,5-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-1,6-dihydropyridazin-4-yl]benzamide

IUPAC name

345-trimethoxy-N-[1-methyl-6-oxo-5-(piperidin-1-yl)-16-dihydropyridazin-4-yl]benzamide

SMILES

CN(C1=O)N=CC(NC(c(cc2OC)cc(OC)c2OC)=O)=C1N1CCCCC1

InChI

InChI=1S/C20H26N4O5/c1-23-20(26)17(24-8-6-5-7-9-24)14(12-21-23)22-19(25)13-10-15(27-2)18(29-4)16(11-13)28-3/h10-12H,5-9H2,1-4H3,(H,22,25)

InChI Key

UIHOFUFXFLOSRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.527

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.31

Polar Surface Area

77.701

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M777-0038 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M777-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M777-0038?
Check Price and Availability of M777-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M777-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M777-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M777-0038
  • 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 M777-0038 available by request