C561-2442 Screening compound: ethyl 2-oxo-4-phenyl-6-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2442 Screening compound: ethyl 2-oxo-4-phenyl-6-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2442 Screening compound: ethyl 2-oxo-4-phenyl-6-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2442
ethyl 2-oxo-4-phenyl-6-{[(propan-2-yl)amino]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

C561-2442

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1ccccc1)N1)=C(CNC(C)C)NC1=O)=O

InChI

InChI=1S/C17H23N3O3/c1-4-23-16(21)14-13(10-18-11(2)3)19-17(22)20-15(14)12-8-6-5-7-9-12/h5-9,11,15,18H,4,10H2,1-3H3,(H2,19,20,22)/t15-/m1/s1

InChI Key

DDHMBVNURQZUEI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14771549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

-3.267

Water Solubility, LogSw

-2.04

Polar Surface Area

67.855

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

12.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C561-2442 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 C561-2442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2442?
Check Price and Availability of C561-2442, 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 C561-2442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2442
  • 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 C561-2442 available by request