2722-0072 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-5-phenyl-1,4-dihydropyrimidin-4-one

2722-0072 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-5-phenyl-1,4-dihydropyrimidin-4-one
2722-0072 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-5-phenyl-1,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2722-0072
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-5-phenyl-1,4-dihydropyrimidin-4-one

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

2722-0072

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-5-phenyl-1,4-dihydropyrimidin-4-one

IUPAC name

1-[2-(34-dimethoxyphenyl)ethyl]-26-dimethyl-5-phenyl-14-dihydropyrimidin-4-one

SMILES

CC(N(CCc(cc1)cc(OC)c1OC)C(C)=N1)=C(c2ccccc2)C1=O

InChI

InChI=1S/C22H24N2O3/c1-15-21(18-8-6-5-7-9-18)22(25)23-16(2)24(15)13-12-17-10-11-19(26-3)20(14-17)27-4/h5-11,14H,12-13H2,1-4H3

InChI Key

JLVGWPNERDVNOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00841035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.18

Polar Surface Area

39.592

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2722-0072 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2722-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2722-0072?
Check Price and Availability of 2722-0072, 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 2722-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2722-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2722-0072
  • 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 2722-0072 available by request