G944-0700 Screening compound: 1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

G944-0700 Screening compound: 1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
G944-0700 Screening compound: 1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0700
1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-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

G944-0700

Molecular Formula

C18H17N5OS (C18 H17 N5 OS)

Compound Name

1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-{5-[(thiophen-2-yl)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

C(c1cccs1)c1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1

InChI

InChI=1S/C18H17N5OS/c1-2-5-13(4-1)23-16-8-7-12(10-15(16)20-22-23)18-19-17(24-21-18)11-14-6-3-9-25-14/h3,6-10,13H,1-2,4-5,11H2

InChI Key

XQBSPXJCQNTJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.40

Polar Surface Area

58.090

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G944-0700 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G944-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0700?
Check Price and Availability of G944-0700, 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 G944-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0700
  • 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 G944-0700 available by request