G728-0214 Screening compound: 2-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

G728-0214 Screening compound: 2-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline
G728-0214 Screening compound: 2-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G728-0214
2-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

G728-0214

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

2-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{3-[(benzenesulfonyl)methyl]-124-oxadiazole-5-carbonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1nc(CS(c2ccccc2)(=O)=O)no1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H17N3O4S/c23-19(22-11-10-14-6-4-5-7-15(14)12-22)18-20-17(21-26-18)13-27(24,25)16-8-2-1-3-9-16/h1-9H,10-13H2

InChI Key

NQZQTPVSFYYFSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-2.49

Polar Surface Area

78.253

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G728-0214 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G728-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G728-0214?
Check Price and Availability of G728-0214, 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 G728-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G728-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G728-0214
  • 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 G728-0214 available by request