Y020-5582 Screening compound: 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

Y020-5582 Screening compound: 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Y020-5582 Screening compound: 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5582
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

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

Y020-5582

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

IUPAC name

1-(23-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]ethan-1-one

SMILES

Cc1c(C)n(C(CSc2nnc(-c3ccccc3)[nH]2)=O)c2c1cccc2

InChI

InChI=1S/C20H18N4OS/c1-13-14(2)24(17-11-7-6-10-16(13)17)18(25)12-26-20-21-19(22-23-20)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)

InChI Key

BEILVKIFTMZHDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-3.65

Polar Surface Area

47.358

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y020-5582 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 Y020-5582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5582?
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What is the minimum amount of Y020-5582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5582
  • 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 Y020-5582 available by request