T651-0540 Screening compound: N-[8-(3,4-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

T651-0540 Screening compound: N-[8-(3,4-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
T651-0540 Screening compound: N-[8-(3,4-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0540
N-[8-(3,4-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

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

T651-0540

Molecular Formula

C22H25FN2O3S (C22 H25 FN2 O3 S)

Compound Name

N-[8-(3,4-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

IUPAC name

N-[(1R5S)-8-(34-dimethylbenzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide

SMILES

Cc(cc1)c(C)cc1S(N([C@H](CC1)C2)[C@@H]1CC2NC(c(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C22H25FN2O3S/c1-14-3-10-21(11-15(14)2)29(27,28)25-19-8-9-20(25)13-18(12-19)24-22(26)16-4-6-17(23)7-5-16/h3-7,10-11,18-20H,8-9,12-13H2,1-2H3,(H,24,26)/t18?,19-,20+

InChI Key

SNTOYAQOFJRWQE-IHWFROFDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.86

Polar Surface Area

56.322

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

T651-0540 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T651-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0540?
Check Price and Availability of T651-0540, 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 T651-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0540
  • 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 T651-0540 available by request