E631-1009 Screening compound: N~6~-{3-[benzyl(isopropyl)amino]propyl}-8-chloro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

E631-1009 Screening compound: N~6~-{3-[benzyl(isopropyl)amino]propyl}-8-chloro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide
E631-1009 Screening compound: N~6~-{3-[benzyl(isopropyl)amino]propyl}-8-chloro-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 E631-1009
N~6~-{3-[benzyl(isopropyl)amino]propyl}-8-chloro-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

E631-1009

Molecular Formula

C25H28ClN3O3 (C25 H28 ClN3 O3)

Compound Name

N~6~-{3-[benzyl(isopropyl)amino]propyl}-8-chloro-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-8-chloro-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-5(13)6811-tetraene-11-carboxamide

SMILES

CC(C)N(CCCNC(C(C(c1c(cc2)Cl)=O)=CN3c1c2OCC3)=O)Cc1ccccc1

InChI

InChI=1S/C25H28ClN3O3/c1-17(2)28(15-18-7-4-3-5-8-18)12-6-11-27-25(31)19-16-29-13-14-32-21-10-9-20(26)22(23(21)29)24(19)30/h3-5,7-10,16-17H,6,11-15H2,1-2H3,(H,27,31)

InChI Key

XBGWSXLVVCFWMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-4.26

Polar Surface Area

52.686

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E631-1009 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E631-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E631-1009?
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What is the minimum amount of E631-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E631-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E631-1009
  • 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 E631-1009 available by request