C919-0105 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one

C919-0105 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one
C919-0105 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C919-0105
1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-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

C919-0105

Molecular Formula

C27H30N6O (C27 H30 N6 O)

Compound Name

1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one

IUPAC name

1-[4-(pyridin-2-yl)piperazin-1-yl]-3-{346-trimethyl-1-phenyl-1H-pyrazolo[34-b]pyridin-5-yl}propan-1-one

SMILES

Cc(c1c(C)c(CCC(N(CC2)CCN2c2ncccc2)=O)c(C)nc11)nn1-c1ccccc1

InChI

InChI=1S/C27H30N6O/c1-19-23(12-13-25(34)32-17-15-31(16-18-32)24-11-7-8-14-28-24)20(2)29-27-26(19)21(3)30-33(27)22-9-5-4-6-10-22/h4-11,14H,12-13,15-18H2,1-3H3

InChI Key

PFIBUWNBPLVBCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.37

Polar Surface Area

52.104

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C919-0105 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C919-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C919-0105?
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What is the minimum amount of C919-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C919-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C919-0105
  • 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 C919-0105 available by request