T833-2071 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine

T833-2071 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine
T833-2071 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2071
1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine

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

T833-2071

Molecular Formula

C18H25ClFN3O3S (C18 H25 ClFN3 O3 S)

Compound Name

1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine

IUPAC name

1-(3-chloro-4-fluorobenzoyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1C(c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C18H25ClFN3O3S/c1-3-18(6-7-23(13-18)27(2,25)26)22-10-8-21(9-11-22)17(24)14-4-5-16(20)15(19)12-14/h4-5,12H,3,6-11,13H2,1-2H3/t18-/m0/s1

InChI Key

ORBUIWKZFHKFJQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28994996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-3.09

Polar Surface Area

51.510

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

T833-2071 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2071?
Check Price and Availability of T833-2071, 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 T833-2071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2071
  • 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 T833-2071 available by request