4582-0055 Screening compound: N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-N-(4-methoxyphenyl)guanidine

4582-0055 Screening compound: N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-N-(4-methoxyphenyl)guanidine
4582-0055 Screening compound: N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-N-(4-methoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0055
N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-N-(4-methoxyphenyl)guanidine

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

4582-0055

Molecular Formula

C14H17N5O3 (C14 H17 N5 O3)

Compound Name

N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-N-(4-methoxyphenyl)guanidine

IUPAC name

n/a

SMILES

COCC(NC(NC(Nc(cc1)ccc1OC)=N)=N1)=CC1=O

InChI

InChI=1S/C14H17N5O3/c1-21-8-10-7-12(20)18-14(17-10)19-13(15)16-9-3-5-11(22-2)6-4-9/h3-7H,8H2,1-2H3,(H4,15,16,17,18,19,20)

InChI Key

DYDLVEQFGVMFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02738100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.114

Distribution Coefficient, logD

-0.276

Water Solubility, LogSw

-1.94

Polar Surface Area

88.625

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4582-0055 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4582-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0055?
Check Price and Availability of 4582-0055, 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 4582-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0055
  • 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 4582-0055 available by request