Y020-0285 Screening compound: 1-naphthylmethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

Y020-0285 Screening compound: 1-naphthylmethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide
Y020-0285 Screening compound: 1-naphthylmethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0285
1-naphthylmethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

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

Y020-0285

Molecular Formula

C19H13N3S2 (C19 H13 N3 S2)

Compound Name

1-naphthylmethyl [1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl sulfide

IUPAC name

3-{[(naphthalen-1-yl)methyl]sulfanyl}-7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

C(c1cccc2ccccc12)Sc1nnc2sc(cccc3)c3n12

InChI

InChI=1S/C19H13N3S2/c1-2-9-15-13(6-1)7-5-8-14(15)12-23-18-20-21-19-22(18)16-10-3-4-11-17(16)24-19/h1-11H,12H2

InChI Key

WYWRZUZYEYHRGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-6.47

Polar Surface Area

22.035

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y020-0285 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0285?
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What is the minimum amount of Y020-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0285
  • 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 Y020-0285 available by request