S032-1800 Screening compound: N-[2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

S032-1800 Screening compound: N-[2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
S032-1800 Screening compound: N-[2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-1800
N-[2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-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

S032-1800

Molecular Formula

C19H19FN2O3S (C19 H19 FN2 O3 S)

Compound Name

N-[2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

IUPAC name

N-[(1R4R6S)-2-(3-fluoro-4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

SMILES

COc(ccc(C(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1cccs1)=O)=O)c1)c1F

InChI

InChI=1S/C19H19FN2O3S/c1-25-16-5-4-12(9-13(16)20)19(24)22-10-11-7-14(15(22)8-11)21-18(23)17-3-2-6-26-17/h2-6,9,11,14-15H,7-8,10H2,1H3,(H,21,23)/t11-,14+,15-/m0/s1

InChI Key

YADDBCNJHRFIHO-GLQYFDAESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.55

Polar Surface Area

49.747

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S032-1800 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S032-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-1800?
Check Price and Availability of S032-1800, 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 S032-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-1800
  • 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 S032-1800 available by request