8137-0169 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-2-methylpropanamide

8137-0169 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-2-methylpropanamide
8137-0169 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0169
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-2-methylpropanamide

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

8137-0169

Molecular Formula

C21H26N6O (C21 H26 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(/N=C(\NCCc1c[nH]c2c1cccc2)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C21H26N6O/c1-13(2)19(28)26-20(27-21-24-14(3)11-15(4)25-21)22-10-9-16-12-23-18-8-6-5-7-17(16)18/h5-8,11-13,23H,9-10H2,1-4H3,(H2,22,24,25,26,27,28)

InChI Key

VQBKVNRVPMSRQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.48

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

2.968

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-3.20

Polar Surface Area

71.153

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8137-0169 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8137-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0169?
Check Price and Availability of 8137-0169, 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 8137-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0169
  • 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 8137-0169 available by request