8020-4591 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4591 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4591 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4591
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(pyrrolidin-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

8020-4591

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(pyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(25-dimethylphenyl)-2-oxo-6-[(pyrrolidin-1-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1cc(C(C(C(OC)=O)=C(CN2CCCC2)N2)NC2=O)c(C)cc1

InChI

InChI=1S/C19H25N3O3/c1-12-6-7-13(2)14(10-12)17-16(18(23)25-3)15(20-19(24)21-17)11-22-8-4-5-9-22/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H2,20,21,24)/t17-/m1/s1

InChI Key

NFLMSLPTFXEWLT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06631675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.88

Polar Surface Area

61.571

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

12.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8020-4591 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-4591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4591?
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What is the minimum amount of 8020-4591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4591
  • 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 8020-4591 available by request