E645-2572 Screening compound: 4-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-cyclohexylbutanamide

E645-2572 Screening compound: 4-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-cyclohexylbutanamide
E645-2572 Screening compound: 4-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-cyclohexylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-2572
4-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-cyclohexylbutanamide

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

E645-2572

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

4-[8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]-N~1~-cyclohexylbutanamide

IUPAC name

4-{13-chloro-9-oxo-2-oxa-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}-N-cyclohexylbutanamide

SMILES

O=C(CCCN(c(cc(cc1)Cl)c1Oc1c2cccn1)C2=O)NC1CCCCC1

InChI

InChI=1S/C22H24ClN3O3/c23-15-10-11-19-18(14-15)26(22(28)17-8-4-12-24-21(17)29-19)13-5-9-20(27)25-16-6-2-1-3-7-16/h4,8,10-12,14,16H,1-3,5-7,9,13H2,(H,25,27)

InChI Key

AZDYGTNOBNFFBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.24

Polar Surface Area

56.707

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E645-2572 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E645-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-2572?
Check Price and Availability of E645-2572, 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 E645-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-2572
  • 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 E645-2572 available by request