2154-0616 Screening compound: 4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol

2154-0616 Screening compound: 4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
2154-0616 Screening compound: 4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0616
4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol

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

2154-0616

Molecular Formula

C28H21ClN2O3 (C28 H21 ClN2 O3)

Compound Name

4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol

IUPAC name

4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]-2-(6-methyl-13-benzoxazol-2-yl)phenol

SMILES

Cc(cc1)cc2c1nc(-c(cc(cc1)/N=C/c(cc(Cc(cccc3)c3Cl)cc3)c3O)c1O)o2

InChI

InChI=1S/C28H21ClN2O3/c1-17-6-9-24-27(12-17)34-28(31-24)22-15-21(8-11-26(22)33)30-16-20-14-18(7-10-25(20)32)13-19-4-2-3-5-23(19)29/h2-12,14-16,32-33H,13H2,1H3

InChI Key

WRLFMCRRJRNYEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.690

Distribution Coefficient, logD

7.662

Water Solubility, LogSw

-6.12

Polar Surface Area

58.001

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2154-0616 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2154-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0616?
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What is the minimum amount of 2154-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0616
  • 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 2154-0616 available by request