Y020-2468 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Y020-2468 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Y020-2468 Screening compound: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2468
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

Y020-2468

Molecular Formula

C21H22N6O3S (C21 H22 N6 O3 S)

Compound Name

N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(77-dimethyl-5-oxo-5678-tetrahydroquinazolin-2-yl)-2-{[5-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(C)(Cc1c2cnc(NC(CSc3nnc(-c(cccc4)c4OC)[nH]3)=O)n1)CC2=O

InChI

InChI=1S/C21H22N6O3S/c1-21(2)8-14-13(15(28)9-21)10-22-19(23-14)24-17(29)11-31-20-25-18(26-27-20)12-6-4-5-7-16(12)30-3/h4-7,10H,8-9,11H2,1-3H3,(H,25,26,27)(H,22,23,24,29)

InChI Key

JPEXLCBOUZBRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08745658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

0.708

Water Solubility, LogSw

-2.60

Polar Surface Area

98.150

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y020-2468 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-2468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2468?
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What is the minimum amount of Y020-2468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2468
  • 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 Y020-2468 available by request