E981-1041 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1041 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1041 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1041
1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-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

E981-1041

Molecular Formula

C22H26ClN5O2 (C22 H26 ClN5 O2)

Compound Name

1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(3-chloro-2-methylphenyl)-36-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCCN2CCOCC2)=O)nn1-c1cccc(Cl)c1C

InChI

InChI=1S/C22H26ClN5O2/c1-14-13-17(22(29)24-7-8-27-9-11-30-12-10-27)20-16(3)26-28(21(20)25-14)19-6-4-5-18(23)15(19)2/h4-6,13H,7-12H2,1-3H3,(H,24,29)

InChI Key

VRHRLTQPIAPAFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.57

Polar Surface Area

59.286

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E981-1041 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E981-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1041?
Check Price and Availability of E981-1041, 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 E981-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1041
  • 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 E981-1041 available by request