3787-5857 Screening compound: cyclopentyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3787-5857 Screening compound: cyclopentyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3787-5857 Screening compound: cyclopentyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3787-5857
cyclopentyl 4-[3-(benzyloxy)phenyl]-6-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

3787-5857

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

cyclopentyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cyclopentyl 4-[3-(benzyloxy)phenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cc(OCc3ccccc3)ccc2)=O)=C1C(OC1CCCC1)=O

InChI

InChI=1S/C24H26N2O4/c1-16-21(23(27)30-19-11-5-6-12-19)22(26-24(28)25-16)18-10-7-13-20(14-18)29-15-17-8-3-2-4-9-17/h2-4,7-10,13-14,19,22H,5-6,11-12,15H2,1H3,(H2,25,26,28)/t22-/m1/s1

InChI Key

ILYFFXNQICVQBO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01193639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.05

Polar Surface Area

63.369

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3787-5857 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3787-5857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3787-5857?
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What is the minimum amount of 3787-5857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3787-5857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3787-5857
  • 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 3787-5857 available by request