S035-0718 Screening compound: (1S,4S,5S)-N~2~-(4-methoxybenzyl)-5-[(phenylsulfonyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxamide

S035-0718 Screening compound: (1S,4S,5S)-N~2~-(4-methoxybenzyl)-5-[(phenylsulfonyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxamide
S035-0718 Screening compound: (1S,4S,5S)-N~2~-(4-methoxybenzyl)-5-[(phenylsulfonyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0718
(1S,4S,5S)-N~2~-(4-methoxybenzyl)-5-[(phenylsulfonyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxamide

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

S035-0718

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

(1S,4S,5S)-N~2~-(4-methoxybenzyl)-5-[(phenylsulfonyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxamide

IUPAC name

n/a

SMILES

COc1ccc(CNC(N(C[C@@H]2C3)[C@@H]3C[C@@H]2NS(c2ccccc2)(=O)=O)=O)cc1

InChI

InChI=1S/C21H25N3O4S/c1-28-18-9-7-15(8-10-18)13-22-21(25)24-14-16-11-17(24)12-20(16)23-29(26,27)19-5-3-2-4-6-19/h2-10,16-17,20,23H,11-14H2,1H3,(H,22,25)/t16-,17-,20-/m0/s1

InChI Key

JFOVJAVTUDXNHW-ZWOKBUDYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.08

Polar Surface Area

76.520

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

S035-0718 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S035-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0718?
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What is the minimum amount of S035-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0718
  • 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 S035-0718 available by request