F042-1013 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

F042-1013 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
F042-1013 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-1013
2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]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

F042-1013

Molecular Formula

C20H20ClN5O4S2 (C20 H20 ClN5 O4 S2)

Compound Name

2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-(2-{[(3-chlorophenyl)carbamoyl]amino}-13-thiazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(Cc2csc(NC(Nc3cccc(Cl)c3)=O)n2)=O)cc1)(=O)=O

InChI

InChI=1S/C20H20ClN5O4S2/c21-14-2-1-3-15(10-14)24-19(28)26-20-25-16(12-31-20)11-18(27)23-9-8-13-4-6-17(7-5-13)32(22,29)30/h1-7,10,12H,8-9,11H2,(H,23,27)(H2,22,29,30)(H2,24,25,26,28)

InChI Key

BDVOCXPFMYLRKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.779

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.68

Polar Surface Area

117.728

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F042-1013 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR

References: we are preparing a list of scientific research reports with F042-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-1013?
Check Price and Availability of F042-1013, 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 F042-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-1013
  • 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 F042-1013 available by request