G944-0072 Screening compound: 1-methyl-5-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

G944-0072 Screening compound: 1-methyl-5-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
G944-0072 Screening compound: 1-methyl-5-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0072
1-methyl-5-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-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

G944-0072

Molecular Formula

C18H17N5O4 (C18 H17 N5 O4)

Compound Name

1-methyl-5-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

IUPAC name

1-methyl-5-[5-(345-trimethoxyphenyl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

Cn1nnc2c1ccc(-c1noc(-c(cc3OC)cc(OC)c3OC)n1)c2

InChI

InChI=1S/C18H17N5O4/c1-23-13-6-5-10(7-12(13)20-22-23)17-19-18(27-21-17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9H,1-4H3

InChI Key

XDECVXUVJJCEGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.13

Polar Surface Area

80.606

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G944-0072 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G944-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0072?
Check Price and Availability of G944-0072, 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 G944-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0072
  • 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 G944-0072 available by request