5645-0409 Screening compound: methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate

5645-0409 Screening compound: methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
5645-0409 Screening compound: methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0409
methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate

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

5645-0409

Molecular Formula

C15H17N5O4 (C15 H17 N5 O4)

Compound Name

methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate

IUPAC name

methyl 2-{2-[(E)-N''-(2-methoxyphenyl)carbamimidamido]-6-oxo-36-dihydropyrimidin-4-yl}acetate

SMILES

COC(CC(NC(N/C(/N)=N/c(cccc1)c1OC)=N1)=CC1=O)=O

InChI

InChI=1S/C15H17N5O4/c1-23-11-6-4-3-5-10(11)18-14(16)20-15-17-9(7-12(21)19-15)8-13(22)24-2/h3-7H,8H2,1-2H3,(H4,16,17,18,19,20,21)

InChI Key

MGFMZQPFCZUPQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.224

Distribution Coefficient, logD

-1.376

Water Solubility, LogSw

-1.83

Polar Surface Area

101.513

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5645-0409 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 5645-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0409?
Check Price and Availability of 5645-0409, 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 5645-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0409
  • 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 5645-0409 available by request