6809-0020 Screening compound: N2-(4-METHOXYPHENYL)-6-{[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL}-1,3,5-TRIAZINE-2,4-DIAMINE

6809-0020 Screening compound: N2-(4-METHOXYPHENYL)-6-{[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL}-1,3,5-TRIAZINE-2,4-DIAMINE
6809-0020 Screening compound: N2-(4-METHOXYPHENYL)-6-{[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL}-1,3,5-TRIAZINE-2,4-DIAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0020
N2-(4-METHOXYPHENYL)-6-{[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL}-1,3,5-TRIAZINE-2,4-DIAMINE

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

6809-0020

Molecular Formula

C15H17N7OS (C15 H17 N7 OS)

Compound Name

N2-(4-METHOXYPHENYL)-6-{[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]METHYL}-1,3,5-TRIAZINE-2,4-DIAMINE

IUPAC name

n/a

SMILES

Cn1c(SCc2nc(Nc(cc3)ccc3OC)nc(N)n2)ncc1

InChI

InChI=1S/C15H17N7OS/c1-22-8-7-17-15(22)24-9-12-19-13(16)21-14(20-12)18-10-3-5-11(23-2)6-4-10/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)

InChI Key

RYKHMWWWQDZOBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04184558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-2.74

Polar Surface Area

81.799

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

6809-0020 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6809-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0020?
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What is the minimum amount of 6809-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0020
  • 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 6809-0020 available by request