G713-0660 Screening compound: 5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

G713-0660 Screening compound: 5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
G713-0660 Screening compound: 5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0660
5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-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

G713-0660

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(2-{[(4-butoxyphenyl)methyl]carbamoyl}ethyl)-N-phenyl-134-thiadiazole-2-carboxamide

SMILES

CCCCOc1ccc(CNC(CCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc1

InChI

InChI=1S/C23H26N4O3S/c1-2-3-15-30-19-11-9-17(10-12-19)16-24-20(28)13-14-21-26-27-23(31-21)22(29)25-18-7-5-4-6-8-18/h4-12H,2-3,13-16H2,1H3,(H,24,28)(H,25,29)

InChI Key

JBGXVXCUOGVJPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-3.82

Polar Surface Area

78.947

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G713-0660 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with G713-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0660?
Check Price and Availability of G713-0660, 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 G713-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0660
  • 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 G713-0660 available by request