D577-0229 Screening compound: 1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-3-[3-(methylsulfanyl)phenyl]urea

D577-0229 Screening compound: 1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-3-[3-(methylsulfanyl)phenyl]urea
D577-0229 Screening compound: 1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-3-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0229
1-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)-3-[3-(methylsulfanyl)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

D577-0229

Molecular Formula

C23H26N6O2S (C23 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Nc(cc2)ccc2NC(Nc2cccc(SC)c2)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C23H26N6O2S/c1-16-14-21(28-22(24-16)29-10-12-31-13-11-29)25-17-6-8-18(9-7-17)26-23(30)27-19-4-3-5-20(15-19)32-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,25,28)(H2,26,27,30)

InChI Key

UVWGLFMCRRIGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.87

Polar Surface Area

70.687

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D577-0229 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous 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 D577-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0229?
Check Price and Availability of D577-0229, 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 D577-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0229
  • 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 D577-0229 available by request