0659-0043 Screening compound: 3'-(4-chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-one

0659-0043 Screening compound: 3'-(4-chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-one
0659-0043 Screening compound: 3'-(4-chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0659-0043
3'-(4-chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-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

0659-0043

Molecular Formula

C17H13ClO2 (C17 H13 ClO2)

Compound Name

3'-(4-chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-one

IUPAC name

3'-(4-chlorophenyl)-34-dihydro-1H-spiro[naphthalene-22'-oxiran]-1-one

SMILES

O=C(C1(CC2)OC1c(cc1)ccc1Cl)c1c2cccc1

InChI

InChI=1S/C17H13ClO2/c18-13-7-5-12(6-8-13)16-17(20-16)10-9-11-3-1-2-4-14(11)15(17)19/h1-8,16H,9-10H2

InChI Key

PNULDHLWNWEBIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00220684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-4.97

Polar Surface Area

20.930

Acid Dissociation Constant (pKa)

19.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

0659-0043 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 0659-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0659-0043?
Check Price and Availability of 0659-0043, 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 0659-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0659-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0659-0043
  • 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 0659-0043 available by request