8012-6430 Screening compound: ethyl 2-(allylsulfanyl)-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate

8012-6430 Screening compound: ethyl 2-(allylsulfanyl)-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate
8012-6430 Screening compound: ethyl 2-(allylsulfanyl)-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6430
ethyl 2-(allylsulfanyl)-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate

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

8012-6430

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

ethyl 2-(allylsulfanyl)-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 6-methyl-4-phenyl-2-(prop-2-en-1-ylsulfanyl)-14-dihydropyrimidine-5-carboxylate

SMILES

CCOC(C1=C(C)NC(SCC=C)=NC1c1ccccc1)=O

InChI

InChI=1S/C17H20N2O2S/c1-4-11-22-17-18-12(3)14(16(20)21-5-2)15(19-17)13-9-7-6-8-10-13/h4,6-10,15H,1,5,11H2,2-3H3,(H,18,19)/t15-/m0/s1

InChI Key

AHHZEFFRIXWKGH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00695739

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-4.00

Polar Surface Area

42.097

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

8012-6430 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-6430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6430?
Check Price and Availability of 8012-6430, 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 8012-6430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6430
  • 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 8012-6430 available by request