S034-1671 Screening compound: N-((1S,4S,5S)-2-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-2-AZABICYCLO[2.2.1]HEPT-5-YL)NICOTINAMIDE

S034-1671 Screening compound: N-((1S,4S,5S)-2-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-2-AZABICYCLO[2.2.1]HEPT-5-YL)NICOTINAMIDE
S034-1671 Screening compound: N-((1S,4S,5S)-2-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-2-AZABICYCLO[2.2.1]HEPT-5-YL)NICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-1671
N-((1S,4S,5S)-2-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-2-AZABICYCLO[2.2.1]HEPT-5-YL)NICOTINAMIDE

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

S034-1671

Molecular Formula

C19H18F3N3O3S (C19 H18 F3 N3 O3 S)

Compound Name

N-((1S,4S,5S)-2-{[4-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-2-AZABICYCLO[2.2.1]HEPT-5-YL)NICOTINAMIDE

IUPAC name

n/a

SMILES

O=C(c1cnccc1)N[C@@H](C[C@@H]1C2)[C@@H]2CN1S(c1ccc(C(F)(F)F)cc1)(=O)=O

InChI

InChI=1S/C19H18F3N3O3S/c20-19(21,22)14-3-5-16(6-4-14)29(27,28)25-11-13-8-15(25)9-17(13)24-18(26)12-2-1-7-23-10-12/h1-7,10,13,15,17H,8-9,11H2,(H,24,26)/t13-,15-,17+/m0/s1

InChI Key

IYGQRGPJKWBDQA-JLJPHGGASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.50

Polar Surface Area

66.632

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S034-1671 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 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 S034-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-1671?
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What is the minimum amount of S034-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-1671
  • 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 S034-1671 available by request