G944-0331 Screening compound: 5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

G944-0331 Screening compound: 5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole
G944-0331 Screening compound: 5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0331
5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

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

G944-0331

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

IUPAC name

5-{5-[4-(phenylmethanesulfonylmethyl)phenyl]-124-oxadiazol-3-yl}-1-propyl-1H-123-benzotriazole

SMILES

CCCn1nnc2c1ccc(-c1noc(-c3ccc(CS(Cc4ccccc4)(=O)=O)cc3)n1)c2

InChI

InChI=1S/C25H23N5O3S/c1-2-14-30-23-13-12-21(15-22(23)27-29-30)24-26-25(33-28-24)20-10-8-19(9-11-20)17-34(31,32)16-18-6-4-3-5-7-18/h3-13,15H,2,14,16-17H2,1H3

InChI Key

UIARMRYGWMXFSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.21

Polar Surface Area

85.349

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G944-0331 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G944-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0331?
Check Price and Availability of G944-0331, 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 G944-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0331
  • 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 G944-0331 available by request