S029-0833 Screening compound: N-cyclopentyl-1'-(2,3-dimethoxybenzoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine

S029-0833 Screening compound: N-cyclopentyl-1'-(2,3-dimethoxybenzoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine
S029-0833 Screening compound: N-cyclopentyl-1'-(2,3-dimethoxybenzoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0833
N-cyclopentyl-1'-(2,3-dimethoxybenzoyl)-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

S029-0833

Molecular Formula

C26H32N4O3 (C26 H32 N4 O3)

Compound Name

N-cyclopentyl-1'-(2,3-dimethoxybenzoyl)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-2-amine

IUPAC name

N-cyclopentyl-1'-(23-dimethoxybenzoyl)-45-dihydrospiro[14-benzodiazepine-33'-pyrrolidin]-2-amine

SMILES

COc1cccc(C(N(CC2)CC22NCc(cccc3)c3N=C2NC2CCCC2)=O)c1OC

InChI

InChI=1S/C26H32N4O3/c1-32-22-13-7-11-20(23(22)33-2)24(31)30-15-14-26(17-30)25(28-19-9-4-5-10-19)29-21-12-6-3-8-18(21)16-27-26/h3,6-8,11-13,19,27H,4-5,9-10,14-17H2,1-2H3,(H,28,29)/t26-/m0/s1

InChI Key

FIKMGWQYBBYKHL-SANMLTNESA-N

MDL Number (MFCD)

MFCD29028474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.74

Polar Surface Area

64.808

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

S029-0833 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S029-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0833?
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What is the minimum amount of S029-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0833
  • 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 S029-0833 available by request