Y070-0509 Screening compound: 4-{6-[(2,4,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

Y070-0509 Screening compound: 4-{6-[(2,4,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine
Y070-0509 Screening compound: 4-{6-[(2,4,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0509
4-{6-[(2,4,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

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

Y070-0509

Molecular Formula

C18H17N5OS (C18 H17 N5 OS)

Compound Name

4-{6-[(2,4,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

IUPAC name

4-{6-[(246-trimethylphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}pyridine

SMILES

Cc(cc1C)cc(C)c1OCc(s1)nn2c1nnc2-c1ccncc1

InChI

InChI=1S/C18H17N5OS/c1-11-8-12(2)16(13(3)9-11)24-10-15-22-23-17(20-21-18(23)25-15)14-4-6-19-7-5-14/h4-9H,10H2,1-3H3

InChI Key

ROHIAYLGUJYGLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03463040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-3.77

Polar Surface Area

51.317

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y070-0509 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y070-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0509?
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What is the minimum amount of Y070-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0509
  • 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 Y070-0509 available by request