G869-0828 Screening compound: N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,6-difluorobenzamide

G869-0828 Screening compound: N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,6-difluorobenzamide
G869-0828 Screening compound: N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0828
N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,6-difluorobenzamide

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

G869-0828

Molecular Formula

C22H23F2N5O (C22 H23 F2 N5 O)

Compound Name

N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,6-difluorobenzamide

IUPAC name

N-(4-{[4-(diethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-26-difluorobenzamide

SMILES

CCN(CC)c1cc(C)nc(Nc(cc2)ccc2NC(c(c(F)ccc2)c2F)=O)n1

InChI

InChI=1S/C22H23F2N5O/c1-4-29(5-2)19-13-14(3)25-22(28-19)27-16-11-9-15(10-12-16)26-21(30)20-17(23)7-6-8-18(20)24/h6-13H,4-5H2,1-3H3,(H,26,30)(H,25,27,28)

InChI Key

CYNOBQJDGNUHIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-5.37

Polar Surface Area

53.954

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G869-0828 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G869-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0828?
Check Price and Availability of G869-0828, 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 G869-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0828
  • 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 G869-0828 available by request