Y020-6307 Screening compound: 9-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

Y020-6307 Screening compound: 9-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Y020-6307 Screening compound: 9-(3,4-dimethoxyphenyl)-6-(thiophen-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 Y020-6307
9-(3,4-dimethoxyphenyl)-6-(thiophen-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

Y020-6307

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

9-(34-dimethoxyphenyl)-6-(thiophen-2-yl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc(ccc(C1n2ncnc2NC(CC(C2)c3cccs3)=C1C2=O)c1)c1OC

InChI

InChI=1S/C21H20N4O3S/c1-27-16-6-5-12(10-17(16)28-2)20-19-14(24-21-22-11-23-25(20)21)8-13(9-15(19)26)18-4-3-7-29-18/h3-7,10-11,13,20H,8-9H2,1-2H3,(H,22,23,24)

InChI Key

UKBHODFBVKNRRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.32

Polar Surface Area

67.565

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

Y020-6307 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-6307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6307?
Check Price and Availability of Y020-6307, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-6307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6307
  • 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 Y020-6307 available by request