8017-1477 Screening compound: 4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

8017-1477 Screening compound: 4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide
8017-1477 Screening compound: 4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1477
4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

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

8017-1477

Molecular Formula

C21H18N3O2 (C21 H18 N3 O2)

Compound Name

4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

IUPAC name

4-methyl-36-dioxo-2-phenyl-5-(2-phenylethyl)-1H2H3H5H6H-pyrazolo[43-c]pyridin-1-ide

SMILES

CC(N(CCc1ccccc1)C(C=C1[N-]N2c3ccccc3)=O)=C1C2=O

InChI

InChI=1S/C21H19N3O2/c1-15-20-18(22-24(21(20)26)17-10-6-3-7-11-17)14-19(25)23(15)13-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,22,25)/p-1

InChI Key

NZSWAZNMYYAXDP-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-2.91

Polar Surface Area

45.239

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8017-1477 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 8017-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1477?
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What is the minimum amount of 8017-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1477
  • 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 8017-1477 available by request