8005-9303 Screening compound: 2-[5-(ethoxymethyl)-4-imino-2-methyl-1,4-dihydropyrimidin-1-yl]-1-phenylethan-1-one

8005-9303 Screening compound: 2-[5-(ethoxymethyl)-4-imino-2-methyl-1,4-dihydropyrimidin-1-yl]-1-phenylethan-1-one
8005-9303 Screening compound: 2-[5-(ethoxymethyl)-4-imino-2-methyl-1,4-dihydropyrimidin-1-yl]-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9303
2-[5-(ethoxymethyl)-4-imino-2-methyl-1,4-dihydropyrimidin-1-yl]-1-phenylethan-1-one

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

8005-9303

Molecular Formula

C16H19N3O2 (C16 H19 N3 O2)

Compound Name

2-[5-(ethoxymethyl)-4-imino-2-methyl-1,4-dihydropyrimidin-1-yl]-1-phenylethan-1-one

IUPAC name

2-[5-(ethoxymethyl)-4-imino-2-methyl-14-dihydropyrimidin-1-yl]-1-phenylethan-1-one

SMILES

CCOCC1=CN(CC(c2ccccc2)=O)C(C)=NC1=N

InChI

InChI=1S/C16H19N3O2/c1-3-21-11-14-9-19(12(2)18-16(14)17)10-15(20)13-7-5-4-6-8-13/h4-9,17H,3,10-11H2,1-2H3

InChI Key

WGPJHJMFFKTBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822901

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.985

Distribution Coefficient, logD

-2.633

Water Solubility, LogSw

-2.13

Polar Surface Area

50.475

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

11.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8005-9303 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-9303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9303?
Check Price and Availability of 8005-9303, 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 8005-9303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9303
  • 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 8005-9303 available by request