E777-0119 Screening compound: ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E777-0119 Screening compound: ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E777-0119 Screening compound: ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E777-0119
ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

E777-0119

Molecular Formula

C23H27ClN6O3 (C23 H27 ClN6 O3)

Compound Name

ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CN(CC2)CCN2c(cc2)nnc2Cl)NC1=O)=O

InChI

InChI=1S/C23H27ClN6O3/c1-3-33-22(31)20-17(25-23(32)26-21(20)16-6-4-15(2)5-7-16)14-29-10-12-30(13-11-29)19-9-8-18(24)27-28-19/h4-9,21H,3,10-14H2,1-2H3,(H2,25,26,32)/t21-/m1/s1

InChI Key

JVCAIZDVOXNVLV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14918286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-3.41

Polar Surface Area

85.118

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E777-0119 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E777-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E777-0119?
Check Price and Availability of E777-0119, 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 E777-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E777-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E777-0119
  • 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 E777-0119 available by request