8451-16538 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methoxybenzamide

8451-16538 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methoxybenzamide
8451-16538 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-16538
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]-2-methoxybenzamide

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

8451-16538

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-methoxybenzamide

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3OC)=N/C(c(cccc2)c2OC)=O)nc(C)c1

InChI

InChI=1S/C26H28N6O3/c1-16-13-17(2)30-26(29-16)32-25(31-24(33)20-7-5-6-8-23(20)35-4)27-12-11-18-15-28-22-10-9-19(34-3)14-21(18)22/h5-10,13-15,28H,11-12H2,1-4H3,(H2,27,29,30,31,32,33)

InChI Key

ZBPVDNTXOROCHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181063

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

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-3.74

Polar Surface Area

86.056

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

9.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8451-16538 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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 8451-16538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-16538?
Check Price and Availability of 8451-16538, 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 8451-16538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-16538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-16538
  • 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 8451-16538 available by request