3064-5095 Screening compound: benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3064-5095 Screening compound: benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3064-5095 Screening compound: benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3064-5095
benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-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

3064-5095

Molecular Formula

C17H16N2O3S (C17 H16 N2 O3 S)

Compound Name

benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cccs2)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C17H16N2O3S/c1-11-14(16(20)22-10-12-6-3-2-4-7-12)15(19-17(21)18-11)13-8-5-9-23-13/h2-9,15H,10H2,1H3,(H2,18,19,21)/t15-/m0/s1

InChI Key

JISBOJIHFHAQPL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01033918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.220

Water Solubility, LogSw

-2.82

Polar Surface Area

57.568

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

3064-5095 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3064-5095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3064-5095?
Check Price and Availability of 3064-5095, 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 3064-5095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3064-5095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3064-5095
  • 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 3064-5095 available by request