Y020-3331 Screening compound: 11-[(4-methoxyphenyl)methyl]-5-phenyl-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

Y020-3331 Screening compound: 11-[(4-methoxyphenyl)methyl]-5-phenyl-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one
Y020-3331 Screening compound: 11-[(4-methoxyphenyl)methyl]-5-phenyl-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3331
11-[(4-methoxyphenyl)methyl]-5-phenyl-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-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

Y020-3331

Molecular Formula

C22H17N5O2 (C22 H17 N5 O2)

Compound Name

11-[(4-methoxyphenyl)methyl]-5-phenyl-2,3,7,8,11-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

IUPAC name

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

SMILES

COc1ccc(CN(C=Cc(n2nc3)c4nnc2c3-c2ccccc2)C4=O)cc1

InChI

InChI=1S/C22H17N5O2/c1-29-17-9-7-15(8-10-17)14-26-12-11-19-20(22(26)28)24-25-21-18(13-23-27(19)21)16-5-3-2-4-6-16/h2-13H,14H2,1H3

InChI Key

HOWBUWCERZTEJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15196144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.22

Polar Surface Area

58.941

Acid Dissociation Constant (pKa)

30.20

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with Y020-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3331?
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What is the minimum amount of Y020-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3331
  • 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 Y020-3331 available by request