E645-0091 Screening compound: 2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

E645-0091 Screening compound: 2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide
E645-0091 Screening compound: 2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0091
2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)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

E645-0091

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)acetamide

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1Oc1c2cccn1)C2=O)NCC1OCCC1

InChI

InChI=1S/C19H19N3O4/c23-17(21-11-13-5-4-10-25-13)12-22-15-7-1-2-8-16(15)26-18-14(19(22)24)6-3-9-20-18/h1-3,6-9,13H,4-5,10-12H2,(H,21,23)/t13-/m1/s1

InChI Key

QNCNERHJCVLPDH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14907421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

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

1.211

Distribution Coefficient, logD

1.211

Water Solubility, LogSw

-2.33

Polar Surface Area

65.658

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E645-0091 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E645-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0091?
Check Price and Availability of E645-0091, 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 E645-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0091
  • 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 E645-0091 available by request