8019-3546 Screening compound: ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate

8019-3546 Screening compound: ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
8019-3546 Screening compound: ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3546
ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-1,6-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

8019-3546

Molecular Formula

C16H19N5O4 (C16 H19 N5 O4)

Compound Name

ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate

IUPAC name

ethyl 2-{2-[N'-(4-methoxyphenyl)carbamimidamido]-6-oxo-16-dihydropyrimidin-4-yl}acetate

SMILES

CCOC(CC(N=C(NC(Nc(cc1)ccc1OC)=N)N1)=CC1=O)=O

InChI

InChI=1S/C16H19N5O4/c1-3-25-14(23)9-11-8-13(22)20-16(19-11)21-15(17)18-10-4-6-12(24-2)7-5-10/h4-8H,3,9H2,1-2H3,(H4,17,18,19,20,21,22)

InChI Key

LDBUDXIGYGJEKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

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

1.557

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-2.10

Polar Surface Area

100.360

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-3546 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8019-3546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3546?
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What is the minimum amount of 8019-3546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3546
  • 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 8019-3546 available by request