Y021-2187 Screening compound: 7-(2-amino-4-phenyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

Y021-2187 Screening compound: 7-(2-amino-4-phenyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
Y021-2187 Screening compound: 7-(2-amino-4-phenyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2187
7-(2-amino-4-phenyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-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

Y021-2187

Molecular Formula

C18H13N7O (C18 H13 N7 O)

Compound Name

7-(2-amino-4-phenyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

IUPAC name

11-(2-amino-4-phenyl-1H-imidazol-1-yl)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Nc1nc(-c2ccccc2)cn1N(C=Cc1c2cnc3ccnn13)C2=O

InChI

InChI=1S/C18H13N7O/c19-18-22-14(12-4-2-1-3-5-12)11-24(18)23-9-7-15-13(17(23)26)10-20-16-6-8-21-25(15)16/h1-11H,(H2,19,22)

InChI Key

PCDKIXHLOZVKKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-1.81

Polar Surface Area

76.604

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y021-2187 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 Y021-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2187?
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What is the minimum amount of Y021-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2187
  • 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 Y021-2187 available by request