F514-0220 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propan-1-one

F514-0220 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propan-1-one
F514-0220 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0220
1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propan-1-one

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

F514-0220

Molecular Formula

C25H32N6O3S (C25 H32 N6 O3 S)

Compound Name

1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-3-[5-(piperidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]propan-1-one

SMILES

O=C(CCn1nnc2c1ccc(S(N1CCCCC1)(=O)=O)c2)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H32N6O3S/c32-25(29-17-15-28(16-18-29)20-21-7-3-1-4-8-21)11-14-31-24-10-9-22(19-23(24)26-27-31)35(33,34)30-12-5-2-6-13-30/h1,3-4,7-10,19H,2,5-6,11-18,20H2

InChI Key

SOFBLAUSVQVSBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.55

Polar Surface Area

77.287

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

F514-0220 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F514-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0220?
Check Price and Availability of F514-0220, 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 F514-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0220
  • 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 F514-0220 available by request