Y020-3413 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

Y020-3413 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Y020-3413 Screening compound: 2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3413
2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

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

Y020-3413

Molecular Formula

C20H14N6OS2 (C20 H14 N6 OS2)

Compound Name

2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-({2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(13-thiazol-2-yl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2c2nc(-c3ccccc3)nn12)Nc1nccs1

InChI

InChI=1S/C20H14N6OS2/c27-16(23-19-21-10-11-28-19)12-29-20-22-15-9-5-4-8-14(15)18-24-17(25-26(18)20)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,23,27)

InChI Key

DVZCZGTVNHVUSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.33

Polar Surface Area

63.425

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

Y020-3413 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 Y020-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3413?
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What is the minimum amount of Y020-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3413
  • 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 Y020-3413 available by request