F874-0013 Screening compound: N-[4-({4-[(1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

F874-0013 Screening compound: N-[4-({4-[(1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide
F874-0013 Screening compound: N-[4-({4-[(1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F874-0013
N-[4-({4-[(1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]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

F874-0013

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

N-[4-({4-[(1,3-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

IUPAC name

N-[4-({4-[(13-benzoxazol-2-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(N1CCN(Cc2nc(cccc3)c3o2)CC1)(=O)=O)=O

InChI

InChI=1S/C20H22N4O4S/c1-15(25)21-16-6-8-17(9-7-16)29(26,27)24-12-10-23(11-13-24)14-20-22-18-4-2-3-5-19(18)28-20/h2-9H,10-14H2,1H3,(H,21,25)

InChI Key

UHRNRYNDNDTOIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.71

Polar Surface Area

75.499

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F874-0013 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F874-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F874-0013?
Check Price and Availability of F874-0013, 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 F874-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F874-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F874-0013
  • 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 F874-0013 available by request