E631-0115 Screening compound: 8-chloro-N~6~-(2,5-dimethoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

E631-0115 Screening compound: 8-chloro-N~6~-(2,5-dimethoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide
E631-0115 Screening compound: 8-chloro-N~6~-(2,5-dimethoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E631-0115
8-chloro-N~6~-(2,5-dimethoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-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

E631-0115

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

8-chloro-N~6~-(2,5-dimethoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

IUPAC name

8-chloro-N-(25-dimethoxyphenyl)-3-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-5(13)6811-tetraene-11-carboxamide

SMILES

CC(C1)Oc(ccc(Cl)c23)c3N1C=C(C(Nc(cc(cc1)OC)c1OC)=O)C2=O

InChI

InChI=1S/C21H19ClN2O5/c1-11-9-24-10-13(20(25)18-14(22)5-7-17(29-11)19(18)24)21(26)23-15-8-12(27-2)4-6-16(15)28-3/h4-8,10-11H,9H2,1-3H3,(H,23,26)/t11-/m1/s1

InChI Key

WALGNEHCGKYRIC-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14905395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-4.08

Polar Surface Area

61.499

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

E631-0115 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E631-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E631-0115?
Check Price and Availability of E631-0115, 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 E631-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E631-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E631-0115
  • 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 E631-0115 available by request