C561-3096 Screening compound: 1-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine

C561-3096 Screening compound: 1-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine
C561-3096 Screening compound: 1-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3096
1-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine

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

C561-3096

Molecular Formula

C27H28N4O (C27 H28 N4 O)

Compound Name

1-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine

IUPAC name

1-[36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carbonyl]-3-(4-methylphenyl)pyrrolidine

SMILES

Cc(c(c1nc(C)c2)c2C(N(CC2)CC2c2ccc(C)cc2)=O)nn1-c1ccc(C)cc1

InChI

InChI=1S/C27H28N4O/c1-17-5-9-21(10-6-17)22-13-14-30(16-22)27(32)24-15-19(3)28-26-25(24)20(4)29-31(26)23-11-7-18(2)8-12-23/h5-12,15,22H,13-14,16H2,1-4H3/t22-/m1/s1

InChI Key

VYVSGQHKDHCCKB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14771922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.47

Polar Surface Area

40.117

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C561-3096 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3096?
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What is the minimum amount of C561-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3096
  • 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 C561-3096 available by request