C405-0019F Screening compound: (11R,11aS)-N-(3,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide

C405-0019F Screening compound: (11R,11aS)-N-(3,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide
C405-0019F Screening compound: (11R,11aS)-N-(3,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C405-0019F
(11R,11aS)-N-(3,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide

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

C405-0019F

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

(11R,11aS)-N-(3,4-dimethoxyphenyl)-6-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline-11-carboxamide

IUPAC name

(11R11aS)-N-(34-dimethoxyphenyl)-6-oxo-1H2H3H4H6H11H11aH-pyrido[12-b]isoquinoline-11-carboxamide

SMILES

COc(ccc(NC([C@H]([C@@H]1N2CCCC1)c(cccc1)c1C2=O)=O)c1)c1OC

InChI

InChI=1S/C22H24N2O4/c1-27-18-11-10-14(13-19(18)28-2)23-21(25)20-15-7-3-4-8-16(15)22(26)24-12-6-5-9-17(20)24/h3-4,7-8,10-11,13,17,20H,5-6,9,12H2,1-2H3,(H,23,25)/t17-,20-/m1/s1

InChI Key

OFHDXPSNQZQZDF-YLJYHZDGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-3.12

Polar Surface Area

54.746

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with C405-0019F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C405-0019F?
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What is the minimum amount of C405-0019F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C405-0019F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C405-0019F
  • 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 C405-0019F available by request