G869-0454 Screening compound: 2-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide

G869-0454 Screening compound: 2-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide
G869-0454 Screening compound: 2-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0454
2-methyl-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide

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

G869-0454

Molecular Formula

C23H25N5O (C23 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(Nc(cc1)ccc1Nc1nc(N2CCCC2)cc(C)n1)=O

InChI

InChI=1S/C23H25N5O/c1-16-7-3-4-8-20(16)22(29)25-18-9-11-19(12-10-18)26-23-24-17(2)15-21(27-23)28-13-5-6-14-28/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,25,29)(H,24,26,27)

InChI Key

BAXCRAOPTFZOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.58

Polar Surface Area

55.036

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G869-0454 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G869-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0454?
Check Price and Availability of G869-0454, 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 G869-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0454
  • 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 G869-0454 available by request