G713-0878 Screening compound: 5-(2-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}ethyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

G713-0878 Screening compound: 5-(2-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}ethyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
G713-0878 Screening compound: 5-(2-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}ethyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0878
5-(2-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}ethyl)-N-(4-methoxyphenyl)-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

G713-0878

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

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

IUPAC name

5-(2-{[(25-dimethoxyphenyl)methyl]carbamoyl}ethyl)-N-(4-methoxyphenyl)-134-thiadiazole-2-carboxamide

SMILES

COc(cc1)ccc1NC(c1nnc(CCC(NCc(cc(cc2)OC)c2OC)=O)s1)=O

InChI

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

InChI Key

HCVIIRXFNLJJGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029740

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

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.58

Polar Surface Area

94.247

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G713-0878 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G713-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0878?
Check Price and Availability of G713-0878, 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 G713-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0878
  • 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 G713-0878 available by request