8020-2723 Screening compound: 1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H,4H,5H-benzo[d]1-oxa-3,7-diaza-2-nickelacyclononan-4-one

8020-2723 Screening compound: 1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H,4H,5H-benzo[d]1-oxa-3,7-diaza-2-nickelacyclononan-4-one
8020-2723 Screening compound: 1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H,4H,5H-benzo[d]1-oxa-3,7-diaza-2-nickelacyclononan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2723
1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H,4H,5H-benzo[d]1-oxa-3,7-diaza-2-nickelacyclononan-4-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

8020-2723

Molecular Formula

C28H27N3NiO3 (C28 H27 N3 NiO3)

Compound Name

1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H,4H,5H-benzo[d]1-oxa-3,7-diaza-2-nickelacyclononan-4-one

IUPAC name

1-(1-benzylpyrrolidine-2-carbonyl)-9-methyl-7-phenyl-1H4H5H-benzo[d]1-oxa-37-diaza-2-nickelacyclononan-4-one

SMILES

Cc(cc1)cc(/C(/c2ccccc2)=N/C2)c1N(C(C1N(Cc3ccccc3)CCC1)=O)[Ni]OC2=O

InChI

InChI=1S/C28H29N3O3.Ni/c1-20-14-15-24(23(17-20)27(29-18-26(32)33)22-11-6-3-7-12-22)30-28(34)25-13-8-16-31(25)19-21-9-4-2-5-10-21;/h2-7,9-12,14-15,17,25H,8,13,16,18-19H2,1H3,(H2,29,30,32,33,34);/q;+2/p-2/t25-;/m0./s1

InChI Key

WFCROKPYZVOQAS-UQIIZPHYSA-L

MDL Number (MFCD)

MFCD28993005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.77

Polar Surface Area

49.820

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-2723 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-2723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2723?
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What is the minimum amount of 8020-2723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2723
  • 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 8020-2723 available by request