G869-0654 Screening compound: 3-bromo-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzamide

G869-0654 Screening compound: 3-bromo-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzamide
G869-0654 Screening compound: 3-bromo-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0654
3-bromo-N-(4-{[4-methyl-6-(morpholin-4-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

G869-0654

Molecular Formula

C22H22BrN5O2 (C22 H22 BrN5 O2)

Compound Name

3-bromo-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzamide

IUPAC name

3-bromo-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzamide

SMILES

Cc1nc(Nc(cc2)ccc2NC(c2cccc(Br)c2)=O)nc(N2CCOCC2)c1

InChI

InChI=1S/C22H22BrN5O2/c1-15-13-20(28-9-11-30-12-10-28)27-22(24-15)26-19-7-5-18(6-8-19)25-21(29)16-3-2-4-17(23)14-16/h2-8,13-14H,9-12H2,1H3,(H,25,29)(H,24,26,27)

InChI Key

LYITTXBXYPSGCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-4.65

Polar Surface Area

62.578

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G869-0654 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G869-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0654?
Check Price and Availability of G869-0654, 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 G869-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0654
  • 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 G869-0654 available by request