F042-0423 Screening compound: 3-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-1-(4-chlorophenyl)urea

F042-0423 Screening compound: 3-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-1-(4-chlorophenyl)urea
F042-0423 Screening compound: 3-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0423
3-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}-1-(4-chlorophenyl)urea

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

F042-0423

Molecular Formula

C24H25ClN4O2S (C24 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1csc(NC(Nc(cc2)ccc2Cl)=O)n1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H25ClN4O2S/c25-19-6-8-20(9-7-19)26-23(31)28-24-27-21(16-32-24)15-22(30)29-12-10-18(11-13-29)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H2,26,27,28,31)

InChI Key

HWXBACVNIAHFKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.01

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

6.101

Distribution Coefficient, logD

6.101

Water Solubility, LogSw

-6.26

Polar Surface Area

58.932

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F042-0423 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)

Protein Kinases Inhibitors Library (36801 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
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F042-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0423?
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What is the minimum amount of F042-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0423
  • 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 F042-0423 available by request