G869-0458 Screening compound: 2-methoxy-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide

G869-0458 Screening compound: 2-methoxy-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide
G869-0458 Screening compound: 2-methoxy-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0458
2-methoxy-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

G869-0458

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(Nc(cc2)ccc2NC(c(cccc2)c2OC)=O)nc(N2CCCC2)c1

InChI

InChI=1S/C23H25N5O2/c1-16-15-21(28-13-5-6-14-28)27-23(24-16)26-18-11-9-17(10-12-18)25-22(29)19-7-3-4-8-20(19)30-2/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,25,29)(H,24,26,27)

InChI Key

UHSUVVWYGOICOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.46

Polar Surface Area

62.666

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G869-0458 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G869-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0458?
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What is the minimum amount of G869-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0458
  • 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 G869-0458 available by request