Y021-2500 Screening compound: methyl 7-(2-furylmethyl)-6-oxo-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-9-carboxylate

Y021-2500 Screening compound: methyl 7-(2-furylmethyl)-6-oxo-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-9-carboxylate
Y021-2500 Screening compound: methyl 7-(2-furylmethyl)-6-oxo-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2500
methyl 7-(2-furylmethyl)-6-oxo-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-9-carboxylate

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

Y021-2500

Molecular Formula

C22H16N4O4 (C22 H16 N4 O4)

Compound Name

methyl 7-(2-furylmethyl)-6-oxo-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-9-carboxylate

IUPAC name

methyl 11-[(furan-2-yl)methyl]-10-oxo-5-phenyl-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaene-13-carboxylate

SMILES

COC(C(c(n1nc2)c3cnc1c2-c1ccccc1)=CN(Cc1ccco1)C3=O)=O

InChI

InChI=1S/C22H16N4O4/c1-29-22(28)18-13-25(12-15-8-5-9-30-15)21(27)17-10-23-20-16(11-24-26(20)19(17)18)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3

InChI Key

IEBDZSYBBCHDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31711527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.17

Polar Surface Area

66.917

Acid Dissociation Constant (pKa)

33.61

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

Y021-2500 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2500?
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What is the minimum amount of Y021-2500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2500
  • 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 Y021-2500 available by request