V011-1831 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl][5-(2-furyl)-3-methyl-4-isoxazolyl]methanone

V011-1831 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl][5-(2-furyl)-3-methyl-4-isoxazolyl]methanone
V011-1831 Screening compound: [6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl][5-(2-furyl)-3-methyl-4-isoxazolyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1831
[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl][5-(2-furyl)-3-methyl-4-isoxazolyl]methanone

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

V011-1831

Molecular Formula

C20H20N2O5 (C20 H20 N2 O5)

Compound Name

[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl][5-(2-furyl)-3-methyl-4-isoxazolyl]methanone

IUPAC name

2-[5-(furan-2-yl)-3-methyl-12-oxazole-4-carbonyl]-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

Cc1noc(-c2ccco2)c1C(N(CC1)Cc(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C20H20N2O5/c1-12-18(19(27-21-12)15-5-4-8-26-15)20(23)22-7-6-13-9-16(24-2)17(25-3)10-14(13)11-22/h4-5,8-10H,6-7,11H2,1-3H3

InChI Key

ZTFSXWNTVYRCDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-2.65

Polar Surface Area

62.733

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V011-1831 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V011-1831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1831?
Check Price and Availability of V011-1831, 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 V011-1831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1831
  • 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 V011-1831 available by request