F042-0553 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-methylacetamide

F042-0553 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-methylacetamide
F042-0553 Screening compound: N-benzyl-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0553
N-benzyl-2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-methylacetamide

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

F042-0553

Molecular Formula

C20H19ClN4O2S (C20 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(Cc1csc(NC(Nc2cccc(Cl)c2)=O)n1)=O

InChI

InChI=1S/C20H19ClN4O2S/c1-25(12-14-6-3-2-4-7-14)18(26)11-17-13-28-20(23-17)24-19(27)22-16-9-5-8-15(21)10-16/h2-10,13H,11-12H2,1H3,(H2,22,23,24,27)

InChI Key

UNHYYHXTMMZZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.57

Polar Surface Area

58.706

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F042-0553 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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

References: we are preparing a list of scientific research reports with F042-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0553?
Check Price and Availability of F042-0553, 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 F042-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0553
  • 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 F042-0553 available by request