E981-1030 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-(4-phenylbutan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1030 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-(4-phenylbutan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1030 Screening compound: 1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-(4-phenylbutan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1030
1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-(4-phenylbutan-2-yl)-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

E981-1030

Molecular Formula

C26H27ClN4O (C26 H27 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(c1c(c(C)nn2-c3cccc(Cl)c3C)c2nc(C)c1)=O

InChI

InChI=1S/C26H27ClN4O/c1-16(13-14-20-9-6-5-7-10-20)29-26(32)21-15-17(2)28-25-24(21)19(4)30-31(25)23-12-8-11-22(27)18(23)3/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)/t16-/m0/s1

InChI Key

FCVQIOMYJSECTJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14934974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.88

Polar Surface Area

46.994

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E981-1030 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1030?
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What is the minimum amount of E981-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1030
  • 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 E981-1030 available by request