8007-3888 Screening compound: (E)-[1-(2,4-difluorophenyl)ethylidene]amino 2,4-difluorobenzoate

8007-3888 Screening compound: (E)-[1-(2,4-difluorophenyl)ethylidene]amino 2,4-difluorobenzoate
8007-3888 Screening compound: (E)-[1-(2,4-difluorophenyl)ethylidene]amino 2,4-difluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3888
(E)-[1-(2,4-difluorophenyl)ethylidene]amino 2,4-difluorobenzoate

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

8007-3888

Molecular Formula

C15H9F4NO2 (C15 H9 F4 NO2)

Compound Name

(E)-[1-(2,4-difluorophenyl)ethylidene]amino 2,4-difluorobenzoate

IUPAC name

(E)-[1-(24-difluorophenyl)ethylidene]amino 24-difluorobenzoate

SMILES

C/C(/c(ccc(F)c1)c1F)=N\OC(c(ccc(F)c1)c1F)=O

InChI

InChI=1S/C15H9F4NO2/c1-8(11-4-2-9(16)6-13(11)18)20-22-15(21)12-5-3-10(17)7-14(12)19/h2-7H,1H3

InChI Key

XOSSWFSKRHIDII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.15

Polar Surface Area

31.548

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8007-3888 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 8007-3888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3888?
Check Price and Availability of 8007-3888, 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 8007-3888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3888
  • 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 8007-3888 available by request