F874-0042 Screening compound: 2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

F874-0042 Screening compound: 2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
F874-0042 Screening compound: 2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0042
2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

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

F874-0042

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

IUPAC name

2-{[4-(4-cyclohexylbenzenesulfonyl)piperazin-1-yl]methyl}-13-benzoxazole

SMILES

O=S(c1ccc(C2CCCCC2)cc1)(N1CCN(Cc2nc(cccc3)c3o2)CC1)=O

InChI

InChI=1S/C24H29N3O3S/c28-31(29,21-12-10-20(11-13-21)19-6-2-1-3-7-19)27-16-14-26(15-17-27)18-24-25-22-8-4-5-9-23(22)30-24/h4-5,8-13,19H,1-3,6-7,14-18H2

InChI Key

YJMNOADXVWOXQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.27

Polar Surface Area

52.158

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

F874-0042 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F874-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0042?
Check Price and Availability of F874-0042, 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 F874-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0042
  • 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 F874-0042 available by request