7567-0469 Screening compound: N'-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine

7567-0469 Screening compound: N'-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine
7567-0469 Screening compound: N'-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7567-0469
N'-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-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

7567-0469

Molecular Formula

C15H16N8OS2 (C15 H16 N8 OS2)

Compound Name

N'-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine

IUPAC name

N'-(4-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-16-dihydropyrimidin-2-yl)-N-(4-methylphenyl)guanidine

SMILES

Cc(cc1)ccc1NC(NC(N1)=NC(CSc2nnc(N)s2)=CC1=O)=N

InChI

InChI=1S/C15H16N8OS2/c1-8-2-4-9(5-3-8)18-12(16)21-14-19-10(6-11(24)20-14)7-25-15-23-22-13(17)26-15/h2-6H,7H2,1H3,(H2,17,22)(H4,16,18,19,20,21,24)

InChI Key

IVSWMQPHVSEJJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05844009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.54

Polar Surface Area

116.049

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

7567-0469 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 7567-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7567-0469?
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What is the minimum amount of 7567-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7567-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7567-0469
  • 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 7567-0469 available by request