1550-0242 Screening compound: 3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

1550-0242 Screening compound: 3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide
1550-0242 Screening compound: 3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-0242
3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

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

1550-0242

Molecular Formula

C22H19ClN2O3 (C22 H19 ClN2 O3)

Compound Name

3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

IUPAC name

3-chloro-N-{4-[(E)-[(3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}benzamide

SMILES

CCOc1cccc(/C=N/c(cc2)ccc2NC(c2cccc(Cl)c2)=O)c1O

InChI

InChI=1S/C22H19ClN2O3/c1-2-28-20-8-4-6-16(21(20)26)14-24-18-9-11-19(12-10-18)25-22(27)15-5-3-7-17(23)13-15/h3-14,26H,2H2,1H3,(H,25,27)

InChI Key

NNIFCIYMASXHRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-5.00

Polar Surface Area

54.146

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1550-0242 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1550-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-0242?
Check Price and Availability of 1550-0242, 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 1550-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-0242
  • 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 1550-0242 available by request