G756-0861 Screening compound: 3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

G756-0861 Screening compound: 3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]-1-[3-(methylsulfanyl)phenyl]urea
G756-0861 Screening compound: 3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G756-0861
3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]-1-[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

G756-0861

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-[4-methyl-3-({9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methoxy)phenyl]-1-[3-(methylsulfanyl)phenyl]urea

SMILES

Cc(ccc(NC(Nc1cccc(SC)c1)=O)c1)c1OCC(N=C1N2C=CC=C1C)=CC2=O

InChI

InChI=1S/C25H24N4O3S/c1-16-9-10-19(28-25(31)27-18-7-4-8-21(12-18)33-3)13-22(16)32-15-20-14-23(30)29-11-5-6-17(2)24(29)26-20/h4-14H,15H2,1-3H3,(H2,27,28,31)

InChI Key

YZUPJEXLDYSFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.64

Polar Surface Area

64.863

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G756-0861 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G756-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G756-0861?
Check Price and Availability of G756-0861, 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 G756-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G756-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G756-0861
  • 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 G756-0861 available by request