T833-1178 Screening compound: 1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

T833-1178 Screening compound: 1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one
T833-1178 Screening compound: 1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-1178
1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-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

T833-1178

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

IUPAC name

1-{3-ethyl-3-[4-(quinoline-8-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one

SMILES

CCC(CC1)(CN1C(C(C)C)=O)N(CC1)CCN1S(c1cccc2cccnc12)(=O)=O

InChI

InChI=1S/C23H32N4O3S/c1-4-23(10-12-25(17-23)22(28)18(2)3)26-13-15-27(16-14-26)31(29,30)20-9-5-7-19-8-6-11-24-21(19)20/h5-9,11,18H,4,10,12-17H2,1-3H3/t23-/m0/s1

InChI Key

NHWSXUPRIKSIKY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD28994975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.640

Water Solubility, LogSw

-2.78

Polar Surface Area

61.551

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

T833-1178 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T833-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-1178?
Check Price and Availability of T833-1178, 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 T833-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-1178
  • 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 T833-1178 available by request