G713-0613 Screening compound: N-phenyl-5-(2-{[(3,4,5-trimethoxyphenyl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide

G713-0613 Screening compound: N-phenyl-5-(2-{[(3,4,5-trimethoxyphenyl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide
G713-0613 Screening compound: N-phenyl-5-(2-{[(3,4,5-trimethoxyphenyl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0613
N-phenyl-5-(2-{[(3,4,5-trimethoxyphenyl)methyl]carbamoyl}ethyl)-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

G713-0613

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

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

IUPAC name

N-phenyl-5-(2-{[(345-trimethoxyphenyl)methyl]carbamoyl}ethyl)-134-thiadiazole-2-carboxamide

SMILES

COc1cc(CNC(CCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H24N4O5S/c1-29-16-11-14(12-17(30-2)20(16)31-3)13-23-18(27)9-10-19-25-26-22(32-19)21(28)24-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)(H,24,28)

InChI Key

YPSAKCRLTBLHFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-3.10

Polar Surface Area

94.507

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G713-0613 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G713-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0613?
Check Price and Availability of G713-0613, 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 G713-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0613
  • 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 G713-0613 available by request