C795-0633 Screening compound: 1-(6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANE-1,4-DIONE

C795-0633 Screening compound: 1-(6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANE-1,4-DIONE
C795-0633 Screening compound: 1-(6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANE-1,4-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0633
1-(6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANE-1,4-DIONE

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

C795-0633

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

1-(6-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)BUTANE-1,4-DIONE

IUPAC name

n/a

SMILES

Cc(cc1)cc2c1OCCN2C(CCC(N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C22H24N2O3/c1-16-6-7-20-19(14-16)24(12-13-27-20)22(26)9-8-21(25)23-11-10-17-4-2-3-5-18(17)15-23/h2-7,14H,8-13,15H2,1H3

InChI Key

RUPROADBJAYKAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.25

Polar Surface Area

39.029

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

C795-0633 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C795-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0633?
Check Price and Availability of C795-0633, 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 C795-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0633
  • 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 C795-0633 available by request