E631-0853 Screening compound: 8-chloro-N~6~-(2-furylmethyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

E631-0853 Screening compound: 8-chloro-N~6~-(2-furylmethyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide
E631-0853 Screening compound: 8-chloro-N~6~-(2-furylmethyl)-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 E631-0853
8-chloro-N~6~-(2-furylmethyl)-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

E631-0853

Molecular Formula

C17H13ClN2O4 (C17 H13 ClN2 O4)

Compound Name

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

IUPAC name

8-chloro-N-[(furan-2-yl)methyl]-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-5(13)6811-tetraene-11-carboxamide

SMILES

O=C(C(C(c1c(cc2)Cl)=O)=CN3c1c2OCC3)NCc1ccco1

InChI

InChI=1S/C17H13ClN2O4/c18-12-3-4-13-15-14(12)16(21)11(9-20(15)5-7-24-13)17(22)19-8-10-2-1-6-23-10/h1-4,6,9H,5,7-8H2,(H,19,22)

InChI Key

ADXICKMBNABLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

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

2.489

Distribution Coefficient, logD

2.487

Water Solubility, LogSw

-3.50

Polar Surface Area

56.996

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with E631-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E631-0853?
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What is the minimum amount of E631-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E631-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E631-0853
  • 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 E631-0853 available by request