G713-0530 Screening compound: 5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide

G713-0530 Screening compound: 5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide
G713-0530 Screening compound: 5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0530
5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide

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

G713-0530

Molecular Formula

C21H22N6O2S (C21 H22 N6 O2 S)

Compound Name

5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-N-phenyl-134-thiadiazole-2-carboxamide

SMILES

O=C(CCc1nnc(C(Nc2ccccc2)=O)s1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H22N6O2S/c28-19(27-14-12-26(13-15-27)17-8-4-5-11-22-17)10-9-18-24-25-21(30-18)20(29)23-16-6-2-1-3-7-16/h1-8,11H,9-10,12-15H2,(H,23,29)

InChI Key

CWSWQEMNHIQLTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.79

Polar Surface Area

75.221

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G713-0530 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • 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 G713-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0530?
Check Price and Availability of G713-0530, 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 G713-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0530
  • 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 G713-0530 available by request