5594-2910 Screening compound: ethyl 2-{2-[(E)-N''-(4-ethoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate

5594-2910 Screening compound: ethyl 2-{2-[(E)-N''-(4-ethoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
5594-2910 Screening compound: ethyl 2-{2-[(E)-N''-(4-ethoxyphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2910
ethyl 2-{2-[(E)-N''-(4-ethoxyphenyl)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

5594-2910

Molecular Formula

C17H21N5O4 (C17 H21 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CC(NC(N/C(/N)=N/c(cc1)ccc1OCC)=N1)=CC1=O)=O

InChI

InChI=1S/C17H21N5O4/c1-3-25-13-7-5-11(6-8-13)19-16(18)22-17-20-12(9-14(23)21-17)10-15(24)26-4-2/h5-9H,3-4,10H2,1-2H3,(H4,18,19,20,21,22,23)

InChI Key

WVUUVZHLUULEMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.770

Distribution Coefficient, logD

-0.830

Water Solubility, LogSw

-1.96

Polar Surface Area

101.284

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

9.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5594-2910 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 5594-2910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2910?
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What is the minimum amount of 5594-2910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2910
  • 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 5594-2910 available by request