E981-1689 Screening compound: 1-(4-ethylphenyl)-3,6-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1689 Screening compound: 1-(4-ethylphenyl)-3,6-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1689 Screening compound: 1-(4-ethylphenyl)-3,6-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1689
1-(4-ethylphenyl)-3,6-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

E981-1689

Molecular Formula

C29H33N5O (C29 H33 N5 O)

Compound Name

1-(4-ethylphenyl)-3,6-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(4-ethylphenyl)-36-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CCc(cc1)ccc1-n(c1nc(C)c2)nc(C)c1c2C(Nc(cc1)ccc1N1CCC(C)CC1)=O

InChI

InChI=1S/C29H33N5O/c1-5-22-6-10-25(11-7-22)34-28-27(21(4)32-34)26(18-20(3)30-28)29(35)31-23-8-12-24(13-9-23)33-16-14-19(2)15-17-33/h6-13,18-19H,5,14-17H2,1-4H3,(H,31,35)

InChI Key

FUOCUBHIWMEWGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-5.71

Polar Surface Area

49.984

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

E981-1689 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E981-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1689?
Check Price and Availability of E981-1689, 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 E981-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1689
  • 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 E981-1689 available by request