S029-0420 Screening compound: 1-[2-(benzylamino)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2,2-dimethylpropan-1-one

S029-0420 Screening compound: 1-[2-(benzylamino)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2,2-dimethylpropan-1-one
S029-0420 Screening compound: 1-[2-(benzylamino)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2,2-dimethylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S029-0420
1-[2-(benzylamino)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2,2-dimethylpropan-1-one

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

S029-0420

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

1-[2-(benzylamino)-4,5-dihydrospiro[1,4-benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2,2-dimethylpropan-1-one

IUPAC name

1-[2-(benzylamino)-45-dihydrospiro[14-benzodiazepine-33'-pyrrolidin]-1'-yl]-22-dimethylpropan-1-one

SMILES

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

InChI

InChI=1S/C24H30N4O/c1-23(2,3)22(29)28-14-13-24(17-28)21(25-15-18-9-5-4-6-10-18)27-20-12-8-7-11-19(20)16-26-24/h4-12,26H,13-17H2,1-3H3,(H,25,27)/t24-/m0/s1

InChI Key

MXHDYAQTEJGERV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29028462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.32

Polar Surface Area

49.641

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

S029-0420 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S029-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S029-0420?
Check Price and Availability of S029-0420, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S029-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S029-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S029-0420
  • 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 S029-0420 available by request