C561-2554 Screening compound: ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2554 Screening compound: ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2554 Screening compound: ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2554
ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-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

C561-2554

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[benzyl(methyl)amino]methyl}-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1)=C(CN(C)Cc2ccccc2)NC1=O)=O

InChI

InChI=1S/C22H25N3O3/c1-3-28-21(26)19-18(15-25(2)14-16-10-6-4-7-11-16)23-22(27)24-20(19)17-12-8-5-9-13-17/h4-13,20H,3,14-15H2,1-2H3,(H2,23,24,27)/t20-/m1/s1

InChI Key

ZZYFRFBWWFYUPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14771592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.850

Water Solubility, LogSw

-3.21

Polar Surface Area

60.896

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C561-2554 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C561-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2554?
Check Price and Availability of C561-2554, 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 C561-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2554
  • 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 C561-2554 available by request