G856-9811 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

G856-9811 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
G856-9811 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9811
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

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

G856-9811

Molecular Formula

C21H22FN5O4S2 (C21 H22 FN5 O4 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[(5-{[(4-fluorophenyl)carbamoyl]amino}-134-thiadiazol-2-yl)sulfanyl]acetamide

SMILES

COc(ccc(CCNC(CSc1nnc(NC(Nc(cc2)ccc2F)=O)s1)=O)c1)c1OC

InChI

InChI=1S/C21H22FN5O4S2/c1-30-16-8-3-13(11-17(16)31-2)9-10-23-18(28)12-32-21-27-26-20(33-21)25-19(29)24-15-6-4-14(22)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,23,28)(H2,24,25,26,29)

InChI Key

CQMGTXANAGNENY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.377

Water Solubility, LogSw

-3.75

Polar Surface Area

94.750

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G856-9811 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-9811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9811?
Check Price and Availability of G856-9811, 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 G856-9811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9811
  • 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 G856-9811 available by request