S029-2125 Screening compound: N-(TERT-BUTYL)-1'-(PHENOXYACETYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

S029-2125 Screening compound: N-(TERT-BUTYL)-1'-(PHENOXYACETYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE
S029-2125 Screening compound: N-(TERT-BUTYL)-1'-(PHENOXYACETYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-2125
N-(TERT-BUTYL)-1'-(PHENOXYACETYL)-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

S029-2125

Molecular Formula

C24H30N4O2 (C24 H30 N4 O2)

Compound Name

N-(TERT-BUTYL)-1'-(PHENOXYACETYL)-4,5-DIHYDROSPIRO[1,4-BENZODIAZEPINE-3,3'-PYRROLIDIN]-2-AMINE

IUPAC name

n/a

SMILES

CC(C)(C)NC(C(CC1)(CN1C(COc1ccccc1)=O)NC1)=Nc2c1cccc2

InChI

InChI=1S/C24H30N4O2/c1-23(2,3)27-22-24(25-15-18-9-7-8-12-20(18)26-22)13-14-28(17-24)21(29)16-30-19-10-5-4-6-11-19/h4-12,25H,13-17H2,1-3H3,(H,26,27)/t24-/m0/s1

InChI Key

HNDGNPPUBNFEPW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29028536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.23

Polar Surface Area

55.437

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

S029-2125 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S029-2125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-2125?
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What is the minimum amount of S029-2125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-2125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-2125
  • 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 S029-2125 available by request