C561-2751 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2751 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2751 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2751
ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-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

C561-2751

Molecular Formula

C25H31N5O5 (C25 H31 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)CCN2c2ncccc2)NC1=O)=O

InChI

InChI=1S/C25H31N5O5/c1-4-35-24(31)21-18(16-29-12-14-30(15-13-29)20-10-5-6-11-26-20)27-25(32)28-22(21)17-8-7-9-19(33-2)23(17)34-3/h5-11,22H,4,12-16H2,1-3H3,(H2,27,28,32)/t22-/m1/s1

InChI Key

HACZLVVVBYGVAV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14771685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.83

Polar Surface Area

87.904

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C561-2751 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 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 C561-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2751?
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What is the minimum amount of C561-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2751
  • 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 C561-2751 available by request