8004-4167 Screening compound: 4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

8004-4167 Screening compound: 4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate
8004-4167 Screening compound: 4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4167
4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

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

8004-4167

Molecular Formula

C28H23BrN2O4 (C28 H23 BrN2 O4)

Compound Name

4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

IUPAC name

4-[(E)-{[2-(4-bromonaphthalen-1-yl)acetamido]imino}methyl]-2-ethoxyphenyl benzoate

SMILES

CCOc(cc(/C=N/NC(Cc(c1ccccc11)ccc1Br)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C28H23BrN2O4/c1-2-34-26-16-19(12-15-25(26)35-28(33)20-8-4-3-5-9-20)18-30-31-27(32)17-21-13-14-24(29)23-11-7-6-10-22(21)23/h3-16,18H,2,17H2,1H3,(H,31,32)

InChI Key

BNPVPJPAWBHZQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.116

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-5.88

Polar Surface Area

62.744

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

8004-4167 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 8004-4167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4167?
Check Price and Availability of 8004-4167, 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 8004-4167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4167
  • 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 8004-4167 available by request