F042-0689 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-(4-acetamidophenyl)acetamide

F042-0689 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-(4-acetamidophenyl)acetamide
F042-0689 Screening compound: 2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-(4-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0689
2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-(4-acetamidophenyl)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

F042-0689

Molecular Formula

C20H18ClN5O3S (C20 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(Cc1csc(NC(Nc2cccc(Cl)c2)=O)n1)=O)=O

InChI

InChI=1S/C20H18ClN5O3S/c1-12(27)22-14-5-7-15(8-6-14)23-18(28)10-17-11-30-20(25-17)26-19(29)24-16-4-2-3-13(21)9-16/h2-9,11H,10H2,1H3,(H,22,27)(H,23,28)(H2,24,25,26,29)

InChI Key

USTOHOUPCPJTNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.50

Polar Surface Area

89.223

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F042-0689 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F042-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0689?
Check Price and Availability of F042-0689, 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 F042-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0689
  • 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 F042-0689 available by request