F857-0294 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole

F857-0294 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole
F857-0294 Screening compound: 5-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-(propan-2-yl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F857-0294
5-{[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-(propan-2-yl)-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

F857-0294

Molecular Formula

C24H30N6O3S (C24 H30 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1nnc2c1ccc(S(N(CCC1)C1C(N(CC1)CCN1c1ccccc1)=O)(=O)=O)c2

InChI

InChI=1S/C24H30N6O3S/c1-18(2)30-22-11-10-20(17-21(22)25-26-30)34(32,33)29-12-6-9-23(29)24(31)28-15-13-27(14-16-28)19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,23H,6,9,12-16H2,1-2H3/t23-/m0/s1

InChI Key

UDWHHHQXWPMENL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27200149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.85

Polar Surface Area

78.861

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

F857-0294 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F857-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F857-0294?
Check Price and Availability of F857-0294, 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 F857-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F857-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F857-0294
  • 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 F857-0294 available by request