S029-0335 Screening compound: {N}-BENZYL-1'-(PYRIDIN-3-YLCARBONYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

S029-0335 Screening compound: {N}-BENZYL-1'-(PYRIDIN-3-YLCARBONYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE
S029-0335 Screening compound: {N}-BENZYL-1'-(PYRIDIN-3-YLCARBONYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0335
{N}-BENZYL-1'-(PYRIDIN-3-YLCARBONYL)-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

S029-0335

Molecular Formula

C25H25N5O (C25 H25 N5 O)

Compound Name

{N}-BENZYL-1'-(PYRIDIN-3-YLCARBONYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

IUPAC name

n/a

SMILES

O=C(c1cnccc1)N(CC1)CC11NCc(cccc2)c2N=C1NCc1ccccc1

InChI

InChI=1S/C25H25N5O/c31-23(21-10-6-13-26-16-21)30-14-12-25(18-30)24(27-15-19-7-2-1-3-8-19)29-22-11-5-4-9-20(22)17-28-25/h1-11,13,16,28H,12,14-15,17-18H2,(H,27,29)/t25-/m0/s1

InChI Key

PPQKDYFHVTVIIB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD29028449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-1.79

Polar Surface Area

58.887

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

S029-0335 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S029-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0335?
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What is the minimum amount of S029-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0335
  • 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 S029-0335 available by request