8009-6815 Screening compound: 2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid

8009-6815 Screening compound: 2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid
8009-6815 Screening compound: 2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6815
2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid

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

8009-6815

Molecular Formula

C16H18N2O4S (C16 H18 N2 O4 S)

Compound Name

2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(ethoxycarbonyl)-6-methyl-4-phenyl-14-dihydropyrimidin-2-yl]sulfanyl}acetic acid

SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1

InChI Key

PIXSYPRIZYBGET-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01085190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

-0.295

Water Solubility, LogSw

-2.61

Polar Surface Area

70.480

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8009-6815 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-6815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6815?
Check Price and Availability of 8009-6815, 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 8009-6815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6815
  • 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 8009-6815 available by request