E754-0617 Screening compound: 3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

E754-0617 Screening compound: 3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
E754-0617 Screening compound: 3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-0617
3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

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

E754-0617

Molecular Formula

C21H18ClNO3 (C21 H18 ClNO3)

Compound Name

3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

IUPAC name

4-[(4-chlorophenyl)methyl]-617-dioxa-4-azatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-17911(15)-tetraen-16-one

SMILES

O=C1Oc(c2c(cc3)OCN(Cc(cc4)ccc4Cl)C2)c3C2=C1CCC2

InChI

InChI=1S/C21H18ClNO3/c22-14-6-4-13(5-7-14)10-23-11-18-19(25-12-23)9-8-16-15-2-1-3-17(15)21(24)26-20(16)18/h4-9H,1-3,10-12H2

InChI Key

KTXRBXGCBJFSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05706182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.74

Polar Surface Area

33.715

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E754-0617 in Drug Discovery

Included in Screening Libraries

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E754-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-0617?
Check Price and Availability of E754-0617, 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 E754-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-0617
  • 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 E754-0617 available by request