G713-0687 Screening compound: N-(4-methoxyphenyl)-5-(2-{[(pyridin-2-yl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide

G713-0687 Screening compound: N-(4-methoxyphenyl)-5-(2-{[(pyridin-2-yl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide
G713-0687 Screening compound: N-(4-methoxyphenyl)-5-(2-{[(pyridin-2-yl)methyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-0687
N-(4-methoxyphenyl)-5-(2-{[(pyridin-2-yl)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

G713-0687

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(c1nnc(CCC(NCc2ncccc2)=O)s1)=O

InChI

InChI=1S/C19H19N5O3S/c1-27-15-7-5-13(6-8-15)22-18(26)19-24-23-17(28-19)10-9-16(25)21-12-14-4-2-3-11-20-14/h2-8,11H,9-10,12H2,1H3,(H,21,25)(H,22,26)

InChI Key

XKODODQHKHSTOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.32

Polar Surface Area

88.616

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G713-0687 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G713-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-0687?
Check Price and Availability of G713-0687, 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 G713-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-0687
  • 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 G713-0687 available by request