D577-0226 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea

D577-0226 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea
D577-0226 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0226
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea

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

D577-0226

Molecular Formula

C24H26N6O4 (C24 H26 N6 O4)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)urea

SMILES

Cc1cc(Nc(cc2)ccc2NC(Nc(cc2)cc3c2OCCO3)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C24H26N6O4/c1-16-14-22(29-23(25-16)30-8-10-32-11-9-30)26-17-2-4-18(5-3-17)27-24(31)28-19-6-7-20-21(15-19)34-13-12-33-20/h2-7,14-15H,8-13H2,1H3,(H,25,26,29)(H2,27,28,31)

InChI Key

PAZINDRUINNSIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.59

Polar Surface Area

86.510

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D577-0226 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D577-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0226?
Check Price and Availability of D577-0226, 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 D577-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0226
  • 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 D577-0226 available by request