E645-0490 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide

E645-0490 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide
E645-0490 Screening compound: N~1~-[3-(2-ethylpiperidino)propyl]-2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0490
N~1~-[3-(2-ethylpiperidino)propyl]-2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide

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

E645-0490

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N~1~-[3-(2-ethylpiperidino)propyl]-2-[8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-{13-methyl-9-oxo-2-oxa-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}acetamide

SMILES

CCC1N(CCCNC(CN(c(cc(C)cc2)c2Oc2c3cccn2)C3=O)=O)CCCC1

InChI

InChI=1S/C25H32N4O3/c1-3-19-8-4-5-14-28(19)15-7-13-26-23(30)17-29-21-16-18(2)10-11-22(21)32-24-20(25(29)31)9-6-12-27-24/h6,9-12,16,19H,3-5,7-8,13-15,17H2,1-2H3,(H,26,30)/t19-/m0/s1

InChI Key

LXHDEMCRAJWESX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14907531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

0.180

Water Solubility, LogSw

-3.46

Polar Surface Area

60.639

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E645-0490 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E645-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0490?
Check Price and Availability of E645-0490, 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 E645-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0490
  • 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 E645-0490 available by request