8442-0425 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide

8442-0425 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide
8442-0425 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0425
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide

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

8442-0425

Molecular Formula

C21H24N6O (C21 H24 N6 O)

Compound Name

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide

IUPAC name

N-[(Z)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]cyclopropanecarboxamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N\C(C2CC2)=O)nc(C)c1

InChI

InChI=1S/C21H24N6O/c1-13-11-14(2)25-21(24-13)27-20(26-19(28)15-7-8-15)22-10-9-16-12-23-18-6-4-3-5-17(16)18/h3-6,11-12,15,23H,7-10H2,1-2H3,(H2,22,24,25,26,27,28)

InChI Key

CYMNIPQHXZVFFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07469522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-3.14

Polar Surface Area

71.405

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8442-0425 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8442-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0425?
Check Price and Availability of 8442-0425, 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 8442-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0425
  • 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 8442-0425 available by request