F042-0016 Screening compound: 3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)-1-phenylurea

F042-0016 Screening compound: 3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)-1-phenylurea
F042-0016 Screening compound: 3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0016
3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)-1-phenylurea

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

F042-0016

Molecular Formula

C22H22ClN5O2S (C22 H22 ClN5 O2 S)

Compound Name

3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)-1-phenylurea

IUPAC name

3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-13-thiazol-2-yl)-1-phenylurea

SMILES

O=C(Cc1csc(NC(Nc2ccccc2)=O)n1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H22ClN5O2S/c23-16-5-4-8-19(13-16)27-9-11-28(12-10-27)20(29)14-18-15-31-22(25-18)26-21(30)24-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H2,24,25,26,30)

InChI Key

ISQHWDWLBAOVQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.65

Polar Surface Area

62.464

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F042-0016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F042-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0016?
Check Price and Availability of F042-0016, 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 F042-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0016
  • 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 F042-0016 available by request