E981-0873 Screening compound: 1-benzyl-4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperazine

E981-0873 Screening compound: 1-benzyl-4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperazine
E981-0873 Screening compound: 1-benzyl-4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-0873
1-benzyl-4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperazine

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

E981-0873

Molecular Formula

C26H27N5O (C26 H27 N5 O)

Compound Name

1-benzyl-4-{3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl}piperazine

IUPAC name

1-benzyl-4-{36-dimethyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carbonyl}piperazine

SMILES

Cc(c(c1nc(C)c2)c2C(N2CCN(Cc3ccccc3)CC2)=O)nn1-c1ccccc1

InChI

InChI=1S/C26H27N5O/c1-19-17-23(24-20(2)28-31(25(24)27-19)22-11-7-4-8-12-22)26(32)30-15-13-29(14-16-30)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3

InChI Key

FAQBBOCKXHAHLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.74

Polar Surface Area

43.629

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E981-0873 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-0873?
Check Price and Availability of E981-0873, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E981-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-0873
  • 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 E981-0873 available by request