G756-1398 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]urea

G756-1398 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]urea
G756-1398 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G756-1398
3-(2H-1,3-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)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

G756-1398

Molecular Formula

C24H20N4O5 (C24 H20 N4 O5)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methoxy)phenyl]urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-[2-({7-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methoxy)phenyl]urea

SMILES

CC(C=CC1=NC(COc(cccc2)c2NC(Nc(cc2)cc3c2OCO3)=O)=C2)=CN1C2=O

InChI

InChI=1S/C24H20N4O5/c1-15-6-9-22-25-17(11-23(29)28(22)12-15)13-31-19-5-3-2-4-18(19)27-24(30)26-16-7-8-20-21(10-16)33-14-32-20/h2-12H,13-14H2,1H3,(H2,26,27,30)

InChI Key

GIMDBOKGCSDDIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.75

Polar Surface Area

82.779

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G756-1398 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G756-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G756-1398?
Check Price and Availability of G756-1398, 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 G756-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G756-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G756-1398
  • 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 G756-1398 available by request