5402-0800 Screening compound: N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]guanidine

5402-0800 Screening compound: N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]guanidine
5402-0800 Screening compound: N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0800
N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]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

5402-0800

Molecular Formula

C14H16ClN5O2 (C14 H16 ClN5 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]guanidine

IUPAC name

N-(3-chloro-2-methylphenyl)-N'-[6-(methoxymethyl)-4-oxo-14-dihydropyrimidin-2-yl]guanidine

SMILES

Cc(c(NC(NC(NC(COC)=C1)=NC1=O)=N)ccc1)c1Cl

InChI

InChI=1S/C14H16ClN5O2/c1-8-10(15)4-3-5-11(8)18-13(16)20-14-17-9(7-22-2)6-12(21)19-14/h3-6H,7H2,1-2H3,(H4,16,17,18,19,20,21)

InChI Key

IBTQESBGFHZRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

0.596

Water Solubility, LogSw

-2.71

Polar Surface Area

80.384

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5402-0800 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5402-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0800?
Check Price and Availability of 5402-0800, 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 5402-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0800
  • 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 5402-0800 available by request