4463-0010 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(3,4-dichlorobenzoyl)oxime

4463-0010 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(3,4-dichlorobenzoyl)oxime
4463-0010 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(3,4-dichlorobenzoyl)oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-0010
(1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(3,4-dichlorobenzoyl)oxime

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

4463-0010

Molecular Formula

C19H17Cl2NO3 (C19 H17 Cl2 NO3)

Compound Name

(1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(3,4-dichlorobenzoyl)oxime

IUPAC name

[(3E)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-ylidene]amino 34-dichlorobenzoate

SMILES

O=C(c(cc1)cc(Cl)c1Cl)O/N=C(\CCC1)/c2c1oc1c2CCCC1

InChI

InChI=1S/C19H17Cl2NO3/c20-13-9-8-11(10-14(13)21)19(23)25-22-15-5-3-7-17-18(15)12-4-1-2-6-16(12)24-17/h8-10H,1-7H2

InChI Key

FQGVRTZUAVLVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02601558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-6.15

Polar Surface Area

39.878

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4463-0010 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 4463-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-0010?
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What is the minimum amount of 4463-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-0010
  • 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 4463-0010 available by request