8020-4452 Screening compound: methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4452 Screening compound: methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4452 Screening compound: methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4452
methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-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

8020-4452

Molecular Formula

C20H27N3O4 (C20 H27 N3 O4)

Compound Name

methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(3-methoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC1N(CC(NC(NC2c3cc(OC)ccc3)=O)=C2C(OC)=O)CCCC1

InChI

InChI=1S/C20H27N3O4/c1-13-7-4-5-10-23(13)12-16-17(19(24)27-3)18(22-20(25)21-16)14-8-6-9-15(11-14)26-2/h6,8-9,11,13,18H,4-5,7,10,12H2,1-3H3,(H2,21,22,25)

InChI Key

OAYFOSOJKZRNMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07155020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.82

Polar Surface Area

68.199

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

11.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8020-4452 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-4452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4452?
Check Price and Availability of 8020-4452, 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 8020-4452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4452
  • 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 8020-4452 available by request