F874-0001 Screening compound: 2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

F874-0001 Screening compound: 2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
F874-0001 Screening compound: 2-{[4-(4-propylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0001
2-{[4-(4-propylbenzenesulfonyl)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

F874-0001

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc(cc1)ccc1S(N1CCN(Cc2nc(cccc3)c3o2)CC1)(=O)=O

InChI

InChI=1S/C21H25N3O3S/c1-2-5-17-8-10-18(11-9-17)28(25,26)24-14-12-23(13-15-24)16-21-22-19-6-3-4-7-20(19)27-21/h3-4,6-11H,2,5,12-16H2,1H3

InChI Key

SDOKGVHGWSUZGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13398696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.18

Polar Surface Area

52.237

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F874-0001 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F874-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0001?
Check Price and Availability of F874-0001, 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 F874-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0001
  • 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 F874-0001 available by request