5947-0044 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(4-fluorobenzoyl)oxime

5947-0044 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(4-fluorobenzoyl)oxime
5947-0044 Screening compound: (1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(4-fluorobenzoyl)oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 5947-0044
(1E)-3,4,6,7,8,9-hexahydrodibenzo[b,d]furan-1(2H)-one O-(4-fluorobenzoyl)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

5947-0044

Molecular Formula

C19H18FNO3 (C19 H18 FNO3)

Compound Name

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

IUPAC name

[(3E)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-ylidene]amino 4-fluorobenzoate

SMILES

O=C(c(cc1)ccc1F)O/N=C(\CCC1)/c2c1oc1c2CCCC1

InChI

InChI=1S/C19H18FNO3/c20-13-10-8-12(9-11-13)19(22)24-21-15-5-3-7-17-18(15)14-4-1-2-6-16(14)23-17/h8-11H,1-7H2

InChI Key

CUNGRDFTXVJLDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02601564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

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

3.975

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-4.59

Polar Surface Area

39.878

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5947-0044 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5947-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5947-0044?
Check Price and Availability of 5947-0044, 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 5947-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5947-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5947-0044
  • 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 5947-0044 available by request