Y020-7581 Screening compound: 9-(3,5-difluorophenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

Y020-7581 Screening compound: 9-(3,5-difluorophenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Y020-7581 Screening compound: 9-(3,5-difluorophenyl)-2-(trifluoromethyl)-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 Y020-7581
9-(3,5-difluorophenyl)-2-(trifluoromethyl)-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

Y020-7581

Molecular Formula

C16H11F5N4O (C16 H11 F5 N4 O)

Compound Name

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

IUPAC name

9-(35-difluorophenyl)-2-(trifluoromethyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

O=C(CCC1)C2=C1Nc1nc(C(F)(F)F)nn1C2c1cc(F)cc(F)c1

InChI

InChI=1S/C16H11F5N4O/c17-8-4-7(5-9(18)6-8)13-12-10(2-1-3-11(12)26)22-15-23-14(16(19,20)21)24-25(13)15/h4-6,13H,1-3H2,(H,22,23,24)/t13-/m0/s1

InChI Key

KWJRFJBYVQUZCR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06610381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

0.054

Water Solubility, LogSw

-3.78

Polar Surface Area

50.616

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y020-7581 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 Y020-7581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7581?
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What is the minimum amount of Y020-7581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7581
  • 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 Y020-7581 available by request