C561-3000 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[3-(4-methylphenyl)pyrrolidin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-3000 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[3-(4-methylphenyl)pyrrolidin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-3000 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-6-{[3-(4-methylphenyl)pyrrolidin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3000
ethyl 4-(2,3-dimethoxyphenyl)-6-{[3-(4-methylphenyl)pyrrolidin-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

C561-3000

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

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

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-6-{[3-(4-methylphenyl)pyrrolidin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)CC2c2ccc(C)cc2)NC1=O)=O

InChI

InChI=1S/C27H33N3O5/c1-5-35-26(31)23-21(16-30-14-13-19(15-30)18-11-9-17(2)10-12-18)28-27(32)29-24(23)20-7-6-8-22(33-3)25(20)34-4/h6-12,19,24H,5,13-16H2,1-4H3,(H2,28,29,32)

InChI Key

CGQJXNSKAZSNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.84

Polar Surface Area

76.160

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

11.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

C561-3000 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C561-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3000?
Check Price and Availability of C561-3000, 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 C561-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3000
  • 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 C561-3000 available by request