Y020-4115 Screening compound: 7-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

Y020-4115 Screening compound: 7-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
Y020-4115 Screening compound: 7-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4115
7-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-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

Y020-4115

Molecular Formula

C22H16ClN5O (C22 H16 ClN5 O)

Compound Name

7-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC name

11-benzyl-5-(4-chlorophenyl)-4-methyl-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc1nn2c(C=CN(Cc3ccccc3)C3=O)c3nnc2c1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H16ClN5O/c1-14-19(16-7-9-17(23)10-8-16)21-25-24-20-18(28(21)26-14)11-12-27(22(20)29)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3

InChI Key

XSRWBTNTVJSGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15197199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-5.02

Polar Surface Area

51.750

Acid Dissociation Constant (pKa)

30.20

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with Y020-4115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4115?
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What is the minimum amount of Y020-4115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4115
  • 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 Y020-4115 available by request