S032-1287 Screening compound: methyl 2-({6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl}sulfonyl)benzoate

S032-1287 Screening compound: methyl 2-({6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl}sulfonyl)benzoate
S032-1287 Screening compound: methyl 2-({6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl}sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1287
methyl 2-({6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl}sulfonyl)benzoate

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

S032-1287

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

methyl 2-({6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl}sulfonyl)benzoate

IUPAC name

methyl 2-{[(1R4R6S)-6-benzamido-2-azabicyclo[2.2.1]heptan-2-yl]sulfonyl}benzoate

SMILES

COC(c(cccc1)c1S(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1ccccc1)=O)(=O)=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)16-9-5-6-10-19(16)29(26,27)23-13-14-11-17(18(23)12-14)22-20(24)15-7-3-2-4-8-15/h2-10,14,17-18H,11-13H2,1H3,(H,22,24)/t14-,17+,18-/m0/s1

InChI Key

QUNLWRCGGQREOR-QGTPRVQTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.55

Polar Surface Area

78.112

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

S032-1287 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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

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

References: we are preparing a list of scientific research reports with S032-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1287?
Check Price and Availability of S032-1287, 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 S032-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1287
  • 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 S032-1287 available by request