G944-0307 Screening compound: 3-[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

G944-0307 Screening compound: 3-[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
G944-0307 Screening compound: 3-[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0307
3-[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

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

G944-0307

Molecular Formula

C20H15N5O3 (C20 H15 N5 O3)

Compound Name

3-[3-(1-propyl-1H-1,2,3-benzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

IUPAC name

3-[3-(1-propyl-1H-123-benzotriazol-5-yl)-124-oxadiazol-5-yl]-2H-chromen-2-one

SMILES

CCCn1nnc2c1ccc(-c1noc(C3=Cc(cccc4)c4OC3=O)n1)c2

InChI

InChI=1S/C20H15N5O3/c1-2-9-25-16-8-7-13(11-15(16)22-24-25)18-21-19(28-23-18)14-10-12-5-3-4-6-17(12)27-20(14)26/h3-8,10-11H,2,9H2,1H3

InChI Key

HHWLWFASRDQVRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.717

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.03

Polar Surface Area

78.242

Acid Dissociation Constant (pKa)

26.63

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G944-0307 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G944-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0307?
Check Price and Availability of G944-0307, 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 G944-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0307
  • 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 G944-0307 available by request