E645-0085 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide

E645-0085 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide
E645-0085 Screening compound: N~1~-(2-chloro-4-methylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E645-0085
N~1~-(2-chloro-4-methylphenyl)-2-[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

E645-0085

Molecular Formula

C21H16ClN3O3 (C21 H16 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(CN(c(cccc1)c1Oc1c2cccn1)C2=O)=O

InChI

InChI=1S/C21H16ClN3O3/c1-13-8-9-16(15(22)11-13)24-19(26)12-25-17-6-2-3-7-18(17)28-20-14(21(25)27)5-4-10-23-20/h2-11H,12H2,1H3,(H,24,26)

InChI Key

OPKUGEWUEKXOPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

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

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.24

Polar Surface Area

54.984

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E645-0085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E645-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E645-0085?
Check Price and Availability of E645-0085, 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 E645-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E645-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E645-0085
  • 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 E645-0085 available by request