8015-2159 Screening compound: 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one oxime

8015-2159 Screening compound: 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one oxime
8015-2159 Screening compound: 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2159
3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one oxime

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

8015-2159

Molecular Formula

C19H28N2O3 (C19 H28 N2 O3)

Compound Name

3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one oxime

IUPAC name

N-[(2E)-910-dimethoxy-3-(2-methylpropyl)-1H2H3H4H6H7H11bH-pyrido[21-a]isoquinolin-2-ylidene]hydroxylamine

SMILES

CC(C)CC(CN(CCc1c2)C(C3)c1cc(OC)c2OC)/C3=N/O

InChI

InChI=1S/C19H28N2O3/c1-12(2)7-14-11-21-6-5-13-8-18(23-3)19(24-4)9-15(13)17(21)10-16(14)20-22/h8-9,12,14,17,22H,5-7,10-11H2,1-4H3

InChI Key

APWMOWABPJKXTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01474392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-2.81

Polar Surface Area

47.718

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

8015-2159 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2159?
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What is the minimum amount of 8015-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2159
  • 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 8015-2159 available by request