8211-0125 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-phenoxyacetamide

8211-0125 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-phenoxyacetamide
8211-0125 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8211-0125
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-phenoxyacetamide

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

8211-0125

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3OC)=N/C(COc2ccccc2)=O)nc(C)c1

InChI

InChI=1S/C26H28N6O3/c1-17-13-18(2)30-26(29-17)32-25(31-24(33)16-35-20-7-5-4-6-8-20)27-12-11-19-15-28-23-10-9-21(34-3)14-22(19)23/h4-10,13-15,28H,11-12,16H2,1-3H3,(H2,27,29,30,31,32,33)

InChI Key

WMEPFPWIMSYJMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06755192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.48

Polar Surface Area

85.711

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8211-0125 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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 8211-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8211-0125?
Check Price and Availability of 8211-0125, 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 8211-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8211-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8211-0125
  • 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 8211-0125 available by request