F684-0158 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid

F684-0158 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid
F684-0158 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F684-0158
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid

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

F684-0158

Molecular Formula

C21H32N4O5S (C21 H32 N4 O5 S)

Compound Name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid

IUPAC name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-ethanesulfonamidobenzoic acid

SMILES

CCS(Nc(ccc(N1CCN(CC(N2CCCCCC2)=O)CC1)c1)c1C(O)=O)(=O)=O

InChI

InChI=1S/C21H32N4O5S/c1-2-31(29,30)22-19-8-7-17(15-18(19)21(27)28)24-13-11-23(12-14-24)16-20(26)25-9-5-3-4-6-10-25/h7-8,15,22H,2-6,9-14,16H2,1H3,(H,27,28)

InChI Key

CISNDKDNEKJYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962634

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

-2.477

Water Solubility, LogSw

-2.69

Polar Surface Area

94.213

Acid Dissociation Constant (pKa)

3.23

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with F684-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F684-0158?
Check Price and Availability of F684-0158, 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 F684-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F684-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F684-0158
  • 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 F684-0158 available by request