F858-0133 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-1,2,3-benzotriazole

F858-0133 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-1,2,3-benzotriazole
F858-0133 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F858-0133
5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-1,2,3-benzotriazole

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

F858-0133

Molecular Formula

C25H32N6O3S (C25 H32 N6 O3 S)

Compound Name

5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-1,2,3-benzotriazole

IUPAC name

5-{[2-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-1-propyl-1H-123-benzotriazole

SMILES

CCCn1nnc2c1ccc(S(N(CCCC1)C1C(N(CC1)CCN1c1ccccc1)=O)(=O)=O)c2

InChI

InChI=1S/C25H32N6O3S/c1-2-13-30-23-12-11-21(19-22(23)26-27-30)35(33,34)31-14-7-6-10-24(31)25(32)29-17-15-28(16-18-29)20-8-4-3-5-9-20/h3-5,8-9,11-12,19,24H,2,6-7,10,13-18H2,1H3/t24-/m0/s1

InChI Key

FKYNYKZWBOXSLT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27200200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.37

Polar Surface Area

78.005

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

F858-0133 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F858-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F858-0133?
Check Price and Availability of F858-0133, 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 F858-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F858-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F858-0133
  • 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 F858-0133 available by request