Y020-1242 Screening compound: 2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

Y020-1242 Screening compound: 2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Y020-1242 Screening compound: 2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1242
2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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

Y020-1242

Molecular Formula

C21H20N4OS2 (C21 H20 N4 OS2)

Compound Name

2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

2-(benzylsulfanyl)-9-(3-methylthiophen-2-yl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

Cc1c(C(C(C(CCC2)=O)=C2Nc2n3)n2nc3SCc2ccccc2)scc1

InChI

InChI=1S/C21H20N4OS2/c1-13-10-11-27-19(13)18-17-15(8-5-9-16(17)26)22-20-23-21(24-25(18)20)28-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3,(H,22,23,24)/t18-/m1/s1

InChI Key

UCIGAISAVBMGDI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06193113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.36

Polar Surface Area

50.085

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

Y020-1242 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1242
  • 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 Y020-1242 available by request