E631-0068 Screening compound: 8-chloro-N~6~-(4-methoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

E631-0068 Screening compound: 8-chloro-N~6~-(4-methoxyphenyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide
E631-0068 Screening compound: 8-chloro-N~6~-(4-methoxyphenyl)-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 E631-0068
8-chloro-N~6~-(4-methoxyphenyl)-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

E631-0068

Molecular Formula

C20H17ClN2O4 (C20 H17 ClN2 O4)

Compound Name

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

IUPAC name

8-chloro-N-(4-methoxyphenyl)-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(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C20H17ClN2O4/c1-11-9-23-10-14(20(25)22-12-3-5-13(26-2)6-4-12)19(24)17-15(21)7-8-16(27-11)18(17)23/h3-8,10-11H,9H2,1-2H3,(H,22,25)/t11-/m1/s1

InChI Key

VZJHMTRATDJPJD-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14905371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-4.23

Polar Surface Area

54.566

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E631-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E631-0068?
Check Price and Availability of E631-0068, 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 E631-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E631-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E631-0068
  • 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 E631-0068 available by request