8006-1785 Screening compound: 2-[(Z)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate

8006-1785 Screening compound: 2-[(Z)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl furan-2-carboxylate
8006-1785 Screening compound: 2-[(Z)-({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 8006-1785
2-[(Z)-({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

8006-1785

Molecular Formula

C28H32N2O5 (C28 H32 N2 O5)

Compound Name

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

IUPAC name

2-[(Z)-({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(cccc1)c1OC(c1ccco1)=O)=O

InChI

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

InChI Key

CCAQJIWAUNAALL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823759

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

6.421

Distribution Coefficient, logD

6.421

Water Solubility, LogSw

-5.86

Polar Surface Area

71.883

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

8006-1785 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-1785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1785?
Check Price and Availability of 8006-1785, 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 8006-1785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1785
  • 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 8006-1785 available by request