0957-0076 Screening compound: 2-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

0957-0076 Screening compound: 2-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol
0957-0076 Screening compound: 2-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0076
2-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

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

0957-0076

Molecular Formula

C22H15Cl2N3O5 (C22 H15 Cl2 N3 O5)

Compound Name

2-[(E)-{[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

IUPAC name

2-[(E)-{[2-(24-dichlorophenyl)-13-benzoxazol-5-yl]imino}methyl]-6-ethoxy-4-nitrophenol

SMILES

CCOc1cc([N+]([O-])=O)cc(/C=N/c(cc2)cc3c2oc(-c(ccc(Cl)c2)c2Cl)n3)c1O

InChI

InChI=1S/C22H15Cl2N3O5/c1-2-31-20-10-15(27(29)30)7-12(21(20)28)11-25-14-4-6-19-18(9-14)26-22(32-19)16-5-3-13(23)8-17(16)24/h3-11,28H,2H2,1H3

InChI Key

IYKKSUKBJMIGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00650299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.216

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-5.94

Polar Surface Area

81.247

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0957-0076 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0957-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0076?
Check Price and Availability of 0957-0076, 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 0957-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0076
  • 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 0957-0076 available by request