Y020-1718 Screening compound: 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Y020-1718 Screening compound: 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Y020-1718 Screening compound: 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1718
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

Y020-1718

Molecular Formula

C21H22N6O2 (C21 H22 N6 O2)

Compound Name

2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(4-methoxyphenyl)-77-dimethyl-5-oxo-1-(4H-124-triazol-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2nnc[nH]2)C(N)=C(C2c(cc3)ccc3OC)C#N)=C2C1=O

InChI

InChI=1S/C21H22N6O2/c1-21(2)8-15-18(16(28)9-21)17(12-4-6-13(29-3)7-5-12)14(10-22)19(23)27(15)20-24-11-25-26-20/h4-7,11,17H,8-9,23H2,1-3H3,(H,24,25,26)/t17-/m1/s1

InChI Key

ITNDWUDGRLTHGN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06755239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-1.83

Polar Surface Area

94.551

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y020-1718 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1718?
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What is the minimum amount of Y020-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1718
  • 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 Y020-1718 available by request