8004-5756 Screening compound: 4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

8004-5756 Screening compound: 4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate
8004-5756 Screening compound: 4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5756
4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

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

8004-5756

Molecular Formula

C28H32N2O5 (C28 H32 N2 O5)

Compound Name

4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

IUPAC name

4-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c(cc1)ccc1OC(c1ccco1)=O)=O

InChI

InChI=1S/C28H32N2O5/c1-27(2,3)19-28(4,5)21-10-14-22(15-11-21)34-18-25(31)30-29-17-20-8-12-23(13-9-20)35-26(32)24-7-6-16-33-24/h6-17H,18-19H2,1-5H3,(H,30,31)

InChI Key

LBVSZLBKZXLOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.160

Water Solubility, LogSw

-5.65

Polar Surface Area

71.796

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

8004-5756 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 8004-5756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5756?
Check Price and Availability of 8004-5756, 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 8004-5756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5756
  • 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 8004-5756 available by request