8017-4529 Screening compound: 1,3-dibenzyl-8'-methoxy-4',4',6'-trimethyl-4'H-spiro[imidazolidine-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

8017-4529 Screening compound: 1,3-dibenzyl-8'-methoxy-4',4',6'-trimethyl-4'H-spiro[imidazolidine-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
8017-4529 Screening compound: 1,3-dibenzyl-8'-methoxy-4',4',6'-trimethyl-4'H-spiro[imidazolidine-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4529
1,3-dibenzyl-8'-methoxy-4',4',6'-trimethyl-4'H-spiro[imidazolidine-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-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

8017-4529

Molecular Formula

C31H33N3O2 (C31 H33 N3 O2)

Compound Name

1,3-dibenzyl-8'-methoxy-4',4',6'-trimethyl-4'H-spiro[imidazolidine-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one

IUPAC name

13-dibenzyl-10'-methoxy-5'5'7'-trimethyl-4'-azaspiro[imidazolidine-22'-tricyclo[6.3.1.0^{412}]dodecane]-1'(11')6'8'(12')9'-tetraen-3'-one

SMILES

CC(C)(C=C(C)c1c2)N(C(C34N(Cc5ccccc5)CCN3Cc3ccccc3)=O)c1c4cc2OC

InChI

InChI=1S/C31H33N3O2/c1-22-19-30(2,3)34-28-26(22)17-25(36-4)18-27(28)31(29(34)35)32(20-23-11-7-5-8-12-23)15-16-33(31)21-24-13-9-6-10-14-24/h5-14,17-19H,15-16,20-21H2,1-4H3

InChI Key

RNVIYDSWTFJSOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-5.58

Polar Surface Area

29.944

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.26

8017-4529 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8017-4529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4529?
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What is the minimum amount of 8017-4529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4529
  • 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 8017-4529 available by request