S033-1707 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide

S033-1707 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide
S033-1707 Screening compound: N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1707
N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-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

S033-1707

Molecular Formula

C16H21ClN2O4S (C16 H21 ClN2 O4 S)

Compound Name

N-{2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl}methanesulfonamide

IUPAC name

N-[(1R4S6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

SMILES

COc(ccc(CC(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(C)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C16H21ClN2O4S/c1-23-15-4-3-10(5-12(15)17)8-16(20)19-9-11-6-13(14(19)7-11)18-24(2,21)22/h3-5,11,13-14,18H,6-9H2,1-2H3/t11-,13+,14-/m0/s1

InChI Key

YYCXUIMVCSVEKF-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

1.749

Water Solubility, LogSw

-2.90

Polar Surface Area

66.978

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-6.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.30

S033-1707 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 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 S033-1707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1707?
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What is the minimum amount of S033-1707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1707
  • 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 S033-1707 available by request