2081-1553 Screening compound: N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}benzamide

2081-1553 Screening compound: N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}benzamide
2081-1553 Screening compound: N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1553
N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}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

2081-1553

Molecular Formula

C28H23BrN2O2 (C28 H23 BrN2 O2)

Compound Name

N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}benzamide

IUPAC name

N-{4-[(E)-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylidene]amino]-2-methylphenyl}benzamide

SMILES

Cc(cc(cc1)/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1NC(c1ccccc1)=O

InChI

InChI=1S/C28H23BrN2O2/c1-19-14-24(12-13-26(19)31-28(33)22-10-6-3-7-11-22)30-18-23-16-21(17-25(29)27(23)32)15-20-8-4-2-5-9-20/h2-14,16-18,32H,15H2,1H3,(H,31,33)

InChI Key

GXXQLXCIGJHLMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01146171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.678

Distribution Coefficient, logD

6.350

Water Solubility, LogSw

-5.51

Polar Surface Area

45.967

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2081-1553 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 2081-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1553?
Check Price and Availability of 2081-1553, 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 2081-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1553
  • 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 2081-1553 available by request