C561-2527 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2527 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2527 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2527
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]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

C561-2527

Molecular Formula

C22H29N3O5 (C22 H29 N3 O5)

Compound Name

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

IUPAC name

ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C1CCN(CC(NC(NC2c3ccccc3)=O)=C2C(OCC)=O)CC1)=O

InChI

InChI=1S/C22H29N3O5/c1-3-29-20(26)16-10-12-25(13-11-16)14-17-18(21(27)30-4-2)19(24-22(28)23-17)15-8-6-5-7-9-15/h5-9,16,19H,3-4,10-14H2,1-2H3,(H2,23,24,28)/t19-/m1/s1

InChI Key

AGWLPAJCRKBNEH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10324180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.117

Water Solubility, LogSw

-2.67

Polar Surface Area

81.538

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

11.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C561-2527 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 C561-2527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2527?
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What is the minimum amount of C561-2527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2527
  • 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 C561-2527 available by request