Y020-0590 Screening compound: 2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]ethan-1-ol

Y020-0590 Screening compound: 2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]ethan-1-ol
Y020-0590 Screening compound: 2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0590
2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]ethan-1-ol

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

Y020-0590

Molecular Formula

C13H16ClN5OS (C13 H16 ClN5 OS)

Compound Name

2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]ethan-1-ol

IUPAC name

2-[({4-amino-6-[(3-chloro-2-methylphenyl)amino]-135-triazin-2-yl}methyl)sulfanyl]ethan-1-ol

SMILES

Cc(c(Nc1nc(N)nc(CSCCO)n1)ccc1)c1Cl

InChI

InChI=1S/C13H16ClN5OS/c1-8-9(14)3-2-4-10(8)16-13-18-11(7-21-6-5-20)17-12(15)19-13/h2-4,20H,5-7H2,1H3,(H3,15,16,17,18,19)

InChI Key

PVQONUXOKYHEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.19

Polar Surface Area

77.566

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y020-0590 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0590?
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What is the minimum amount of Y020-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0590
  • 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 Y020-0590 available by request