7567-0159 Screening compound: N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydropyrimidin-2-yl}guanidine

7567-0159 Screening compound: N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydropyrimidin-2-yl}guanidine
7567-0159 Screening compound: N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydropyrimidin-2-yl}guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7567-0159
N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydropyrimidin-2-yl}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

7567-0159

Molecular Formula

C18H19N7O2S (C18 H19 N7 O2 S)

Compound Name

N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydropyrimidin-2-yl}guanidine

IUPAC name

N-(4-ethoxyphenyl)-N'-{6-oxo-4-[(pyrimidin-2-ylsulfanyl)methyl]-16-dihydropyrimidin-2-yl}guanidine

SMILES

CCOc(cc1)ccc1NC(NC(N1)=NC(CSc2ncccn2)=CC1=O)=N

InChI

InChI=1S/C18H19N7O2S/c1-2-27-14-6-4-12(5-7-14)22-16(19)25-17-23-13(10-15(26)24-17)11-28-18-20-8-3-9-21-18/h3-10H,2,11H2,1H3,(H4,19,22,23,24,25,26)

InChI Key

GXYMJNVGXAKOGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

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

2.213

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.69

Polar Surface Area

97.667

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7567-0159 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7567-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7567-0159?
Check Price and Availability of 7567-0159, 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 7567-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7567-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7567-0159
  • 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 7567-0159 available by request