2154-0666 Screening compound: 4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}benzamide

2154-0666 Screening compound: 4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}benzamide
2154-0666 Screening compound: 4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0666
4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-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

2154-0666

Molecular Formula

C31H29ClN2O2 (C31 H29 ClN2 O2)

Compound Name

4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}benzamide

IUPAC name

4-tert-butyl-N-{4-[(E)-({5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl}methylidene)amino]phenyl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1/N=C/c(cc(Cc(cccc1)c1Cl)cc1)c1O)=O

InChI

InChI=1S/C31H29ClN2O2/c1-31(2,3)25-11-9-22(10-12-25)30(36)34-27-15-13-26(14-16-27)33-20-24-19-21(8-17-29(24)35)18-23-6-4-5-7-28(23)32/h4-17,19-20,35H,18H2,1-3H3,(H,34,36)

InChI Key

NJOAPFBENBFHRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.232

Distribution Coefficient, logD

8.204

Water Solubility, LogSw

-5.95

Polar Surface Area

47.734

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

2154-0666 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2154-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0666?
Check Price and Availability of 2154-0666, 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 2154-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0666
  • 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 2154-0666 available by request