E860-1107 Screening compound: 2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide

E860-1107 Screening compound: 2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide
E860-1107 Screening compound: 2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E860-1107
2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide

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

E860-1107

Molecular Formula

C24H24ClN5O2S (C24 H24 ClN5 O2 S)

Compound Name

2-{[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide

IUPAC name

2-{[2-(4-chlorophenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]sulfanyl}-N-[(2-ethoxyphenyl)methyl]acetamide

SMILES

CCOc1c(CNC(CSc2nnc(C)c3c(C)n(-c(cc4)ccc4Cl)nc23)=O)cccc1

InChI

InChI=1S/C24H24ClN5O2S/c1-4-32-20-8-6-5-7-17(20)13-26-21(31)14-33-24-23-22(15(2)27-28-24)16(3)30(29-23)19-11-9-18(25)10-12-19/h5-12H,4,13-14H2,1-3H3,(H,26,31)

InChI Key

PMMPDRLPIYCFBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.393

Water Solubility, LogSw

-4.65

Polar Surface Area

68.426

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E860-1107 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 E860-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E860-1107?
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What is the minimum amount of E860-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E860-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E860-1107
  • 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 E860-1107 available by request