S029-0282 Screening compound: 1'-[(2-FLUOROPHENYL)SULFONYL]-N-(2-METHOXYETHYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

S029-0282 Screening compound: 1'-[(2-FLUOROPHENYL)SULFONYL]-N-(2-METHOXYETHYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE
S029-0282 Screening compound: 1'-[(2-FLUOROPHENYL)SULFONYL]-N-(2-METHOXYETHYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0282
1'-[(2-FLUOROPHENYL)SULFONYL]-N-(2-METHOXYETHYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

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

S029-0282

Molecular Formula

C21H25FN4O3S (C21 H25 FN4 O3 S)

Compound Name

1'-[(2-FLUOROPHENYL)SULFONYL]-N-(2-METHOXYETHYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

IUPAC name

n/a

SMILES

COCCNC(C(CC1)(CN1S(c(cccc1)c1F)(=O)=O)NC1)=Nc2c1cccc2

InChI

InChI=1S/C21H25FN4O3S/c1-29-13-11-23-20-21(24-14-16-6-2-4-8-18(16)25-20)10-12-26(15-21)30(27,28)19-9-5-3-7-17(19)22/h2-9,24H,10-15H2,1H3,(H,23,25)/t21-/m0/s1

InChI Key

QSBCFQWHXHRLRL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29032026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-2.47

Polar Surface Area

72.888

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S029-0282 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S029-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0282?
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What is the minimum amount of S029-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0282
  • 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 S029-0282 available by request