S033-1660 Screening compound: N-{(1R,4S,6S)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}methanesulfonamide

S033-1660 Screening compound: N-{(1R,4S,6S)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}methanesulfonamide
S033-1660 Screening compound: N-{(1R,4S,6S)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1660
N-{(1R,4S,6S)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}methanesulfonamide

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

S033-1660

Molecular Formula

C15H18ClFN2O3S (C15 H18 ClFN2 O3 S)

Compound Name

N-{(1R,4S,6S)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}methanesulfonamide

IUPAC name

n/a

SMILES

CS(N[C@H](C[C@@H](C1)C2)[C@H]1N2C(Cc(c(F)ccc1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C15H18ClFN2O3S/c1-23(21,22)18-13-5-9-6-14(13)19(8-9)15(20)7-10-11(16)3-2-4-12(10)17/h2-4,9,13-14,18H,5-8H2,1H3/t9-,13+,14-/m0/s1

InChI Key

JMTDLHCSVNVFKP-FZZIBODNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.84

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

2.012

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.75

Polar Surface Area

59.347

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.33

S033-1660 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1660?
Check Price and Availability of S033-1660, 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 S033-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1660
  • 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 S033-1660 available by request