Y020-5926 Screening compound: N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine

Y020-5926 Screening compound: N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Y020-5926 Screening compound: N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5926
N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-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

Y020-5926

Molecular Formula

C21H17N9S (C21 H17 N9 S)

Compound Name

N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(naphthalen-2-yl)-6-{[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}-135-triazine-24-diamine

SMILES

Nc1nc(CSc2nnnn2-c2ccccc2)nc(Nc2cc3ccccc3cc2)n1

InChI

InChI=1S/C21H17N9S/c22-19-24-18(13-31-21-27-28-29-30(21)17-8-2-1-3-9-17)25-20(26-19)23-16-11-10-14-6-4-5-7-15(14)12-16/h1-12H,13H2,(H3,22,23,24,25,26)

InChI Key

VMXVOOYSURCIKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.97

Polar Surface Area

100.987

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

Y020-5926 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y020-5926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5926?
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What is the minimum amount of Y020-5926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5926
  • 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 Y020-5926 available by request