F042-0542 Screening compound: 2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide

F042-0542 Screening compound: 2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
F042-0542 Screening compound: 2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0542
2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[2-(3-methoxyphenyl)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

F042-0542

Molecular Formula

C21H21ClN4O3S (C21 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CCNC(Cc2csc(NC(Nc(cc3)ccc3Cl)=O)n2)=O)c1

InChI

InChI=1S/C21H21ClN4O3S/c1-29-18-4-2-3-14(11-18)9-10-23-19(27)12-17-13-30-21(25-17)26-20(28)24-16-7-5-15(22)6-8-16/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)(H2,24,25,26,28)

InChI Key

UDFMDTYLTPVCGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.67

Polar Surface Area

74.668

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F042-0542 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F042-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0542?
Check Price and Availability of F042-0542, 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 F042-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0542
  • 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 F042-0542 available by request