E981-1075 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1075 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1075 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1075
N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-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

E981-1075

Molecular Formula

C24H32ClN5O (C24 H32 ClN5 O)

Compound Name

N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-{2-[butyl(ethyl)amino]ethyl}-1-(3-chloro-2-methylphenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CCCCN(CC)CCNC(c1c(c(C)nn2-c3cccc(Cl)c3C)c2nc(C)c1)=O

InChI

InChI=1S/C24H32ClN5O/c1-6-8-13-29(7-2)14-12-26-24(31)19-15-16(3)27-23-22(19)18(5)28-30(23)21-11-9-10-20(25)17(21)4/h9-11,15H,6-8,12-14H2,1-5H3,(H,26,31)

InChI Key

CSYFLUMNCZBGOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.88

Polar Surface Area

51.331

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E981-1075 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1075?
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What is the minimum amount of E981-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1075
  • 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 E981-1075 available by request