8018-9451 Screening compound: N~8~-(1-adamantylmethyl)-N~8~,6-dimethyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

8018-9451 Screening compound: N~8~-(1-adamantylmethyl)-N~8~,6-dimethyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
8018-9451 Screening compound: N~8~-(1-adamantylmethyl)-N~8~,6-dimethyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9451
N~8~-(1-adamantylmethyl)-N~8~,6-dimethyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

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

8018-9451

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

N~8~-(1-adamantylmethyl)-N~8~,6-dimethyl-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

IUPAC name

N-[(adamantan-1-yl)methyl]-N9-dimethyl-11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraene-6-sulfonamide

SMILES

CC(c1c2N3CCc2cc(S(N(C)CC2(CC(C4)C5)CC5CC4C2)(=O)=O)c1)=CC3=O

InChI

InChI=1S/C24H30N2O3S/c1-15-5-22(27)26-4-3-19-9-20(10-21(15)23(19)26)30(28,29)25(2)14-24-11-16-6-17(12-24)8-18(7-16)13-24/h5,9-10,16-18H,3-4,6-8,11-14H2,1-2H3

InChI Key

NMSWTPOJSSNLCQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.52

Polar Surface Area

50.439

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8018-9451 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9451?
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What is the minimum amount of 8018-9451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9451
  • 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 8018-9451 available by request