G409-0153 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea

G409-0153 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea
G409-0153 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G409-0153
1-(2H-1,3-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}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

G409-0153

Molecular Formula

C16H16N6O4 (C16 H16 N6 O4)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{7-hydroxy-5-propyl-[124]triazolo[15-a]pyrimidin-6-yl}urea

SMILES

CCCc1nc2ncnn2c(O)c1NC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H16N6O4/c1-2-3-10-13(14(23)22-15(20-10)17-7-18-22)21-16(24)19-9-4-5-11-12(6-9)26-8-25-11/h4-7,23H,2-3,8H2,1H3,(H2,19,21,24)

InChI Key

ULTAOVVFTNFIBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

-0.428

Water Solubility, LogSw

-2.29

Polar Surface Area

96.460

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G409-0153 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G409-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G409-0153?
Check Price and Availability of G409-0153, 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 G409-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G409-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G409-0153
  • 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 G409-0153 available by request