F042-0446 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide

F042-0446 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide
F042-0446 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0446
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)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

F042-0446

Molecular Formula

C20H17ClN4O4S (C20 H17 ClN4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(2-{[(4-chlorophenyl)carbamoyl]amino}-13-thiazol-4-yl)acetamide

SMILES

O=C(Cc1csc(NC(Nc(cc2)ccc2Cl)=O)n1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H17ClN4O4S/c21-13-2-4-14(5-3-13)23-19(27)25-20-24-15(10-30-20)8-18(26)22-9-12-1-6-16-17(7-12)29-11-28-16/h1-7,10H,8-9,11H2,(H,22,26)(H2,23,24,25,27)

InChI Key

ZGOVQAGPUFYXQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.77

Polar Surface Area

84.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F042-0446 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F042-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0446?
Check Price and Availability of F042-0446, 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 F042-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0446
  • 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 F042-0446 available by request