8002-4707 Screening compound: N-{4-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide

8002-4707 Screening compound: N-{4-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide
8002-4707 Screening compound: N-{4-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4707
N-{4-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide

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

8002-4707

Molecular Formula

C20H15FN2O3 (C20 H15 FN2 O3)

Compound Name

N-{4-[(E)-[(2,4-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide

IUPAC name

N-{4-[(E)-[(24-dihydroxyphenyl)methylidene]amino]phenyl}-4-fluorobenzamide

SMILES

Oc1cc(O)c(/C=N/c(cc2)ccc2NC(c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C20H15FN2O3/c21-15-4-1-13(2-5-15)20(26)23-17-8-6-16(7-9-17)22-12-14-3-10-18(24)11-19(14)25/h1-12,24-25H,(H,23,26)

InChI Key

XCYURKCBJYVBFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.65

Polar Surface Area

65.622

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-4707 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8002-4707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4707?
Check Price and Availability of 8002-4707, 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 8002-4707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4707
  • 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 8002-4707 available by request