G869-0443 Screening compound: 3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide

G869-0443 Screening compound: 3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide
G869-0443 Screening compound: 3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0443
3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide

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

G869-0443

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide

IUPAC name

3-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)butanamide

SMILES

CC(C)CC(Nc(cc1)ccc1Nc1nc(N2CCCC2)cc(C)n1)=O

InChI

InChI=1S/C20H27N5O/c1-14(2)12-19(26)22-16-6-8-17(9-7-16)23-20-21-15(3)13-18(24-20)25-10-4-5-11-25/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,22,26)(H,21,23,24)

InChI Key

NPUPEXCWJPVHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.34

Polar Surface Area

55.094

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G869-0443 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G869-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0443?
Check Price and Availability of G869-0443, 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 G869-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0443
  • 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 G869-0443 available by request