6359-0071 Screening compound: methyl 2-{2-[N'-(2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate

6359-0071 Screening compound: methyl 2-{2-[N'-(2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
6359-0071 Screening compound: methyl 2-{2-[N'-(2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0071
methyl 2-{2-[N'-(2-methylphenyl)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

6359-0071

Molecular Formula

C15H17N5O3 (C15 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(NC(NC(CC(OC)=O)=C1)=NC1=O)=N

InChI

InChI=1S/C15H17N5O3/c1-9-5-3-4-6-11(9)18-14(16)20-15-17-10(7-12(21)19-15)8-13(22)23-2/h3-7H,8H2,1-2H3,(H4,16,17,18,19,20,21)

InChI Key

BFRVAVPCRCHCLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.890

Distribution Coefficient, logD

-0.710

Water Solubility, LogSw

-1.96

Polar Surface Area

92.539

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6359-0071 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 6359-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0071?
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What is the minimum amount of 6359-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0071
  • 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 6359-0071 available by request