C168-0499 Screening compound: 1-[(2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]-4-piperidinecarboxamide

C168-0499 Screening compound: 1-[(2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]-4-piperidinecarboxamide
C168-0499 Screening compound: 1-[(2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0499
1-[(2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]-4-piperidinecarboxamide

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

C168-0499

Molecular Formula

C22H29N3O5 (C22 H29 N3 O5)

Compound Name

1-[(2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinyl)carbonyl]-4-piperidinecarboxamide

IUPAC name

1-[67-dimethoxy-2-(2-methylpropyl)-1-oxo-12-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide

SMILES

CC(C)CN(C=C(C(N(CC1)CCC1C(N)=O)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C22H29N3O5/c1-13(2)11-25-12-17(22(28)24-7-5-14(6-8-24)20(23)26)15-9-18(29-3)19(30-4)10-16(15)21(25)27/h9-10,12-14H,5-8,11H2,1-4H3,(H2,23,26)

InChI Key

SDEGDWJUDOAHHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.305

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-1.87

Polar Surface Area

82.440

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C168-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0499?
Check Price and Availability of C168-0499, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C168-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0499
  • 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 C168-0499 available by request