0960-0025 Screening compound: 2-[(E)-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-ethoxy-4-nitrophenol

0960-0025 Screening compound: 2-[(E)-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-ethoxy-4-nitrophenol
0960-0025 Screening compound: 2-[(E)-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]-6-ethoxy-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0025
2-[(E)-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]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

0960-0025

Molecular Formula

C23H18ClN3O5 (C23 H18 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc([N+]([O-])=O)cc(/C=N/c(cc(cc2)-c3nc(cc(C)cc4)c4o3)c2Cl)c1O

InChI

InChI=1S/C23H18ClN3O5/c1-3-31-21-11-16(27(29)30)9-15(22(21)28)12-25-18-10-14(5-6-17(18)24)23-26-19-8-13(2)4-7-20(19)32-23/h4-12,28H,3H2,1-2H3

InChI Key

NALGWGWJWXRGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00289472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

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

5.825

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-5.65

Polar Surface Area

80.549

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

0960-0025 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0960-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0025?
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What is the minimum amount of 0960-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0025
  • 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 0960-0025 available by request