8442-0130 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide

8442-0130 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide
8442-0130 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0130
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide

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

8442-0130

Molecular Formula

C26H28N6O2 (C26 H28 N6 O2)

Compound Name

N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide

IUPAC name

N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(/N=C(\NCCc1c[nH]c(cc2)c1cc2OC)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C26H28N6O2/c1-16-7-5-6-8-21(16)24(33)31-25(32-26-29-17(2)13-18(3)30-26)27-12-11-19-15-28-23-10-9-20(34-4)14-22(19)23/h5-10,13-15,28H,11-12H2,1-4H3,(H2,27,29,30,31,32,33)

InChI Key

SIEUENJOVIZTQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07404051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-4.08

Polar Surface Area

78.426

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8442-0130 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8442-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0130?
Check Price and Availability of 8442-0130, 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 8442-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0130
  • 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 8442-0130 available by request