5594-2909 Screening compound: (E)-N-(5,6-dimethyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine

5594-2909 Screening compound: (E)-N-(5,6-dimethyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine
5594-2909 Screening compound: (E)-N-(5,6-dimethyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2909
(E)-N-(5,6-dimethyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)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

5594-2909

Molecular Formula

C14H17N5O (C14 H17 N5 O)

Compound Name

(E)-N-(5,6-dimethyl-4-oxo-1,4-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine

IUPAC name

(E)-N-(56-dimethyl-4-oxo-14-dihydropyrimidin-2-yl)-N''-(3-methylphenyl)guanidine

SMILES

Cc1cccc(/N=C(\N)/NC(NC(C)=C2C)=NC2=O)c1

InChI

InChI=1S/C14H17N5O/c1-8-5-4-6-11(7-8)17-13(15)19-14-16-10(3)9(2)12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)

InChI Key

MFQKXHSXVOWNCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

0.598

Water Solubility, LogSw

-2.01

Polar Surface Area

73.247

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

5594-2909 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 5594-2909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2909?
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What is the minimum amount of 5594-2909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2909
  • 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 5594-2909 available by request