8004-1503 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl benzoate

8004-1503 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl benzoate
8004-1503 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1503
2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 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

8004-1503

Molecular Formula

C32H38N2O5 (C32 H38 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/NC(COc1ccc(C(C)(C)CC(C)(C)C)cc1)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C32H38N2O5/c1-7-37-28-19-23(13-18-27(28)39-30(36)24-11-9-8-10-12-24)20-33-34-29(35)21-38-26-16-14-25(15-17-26)32(5,6)22-31(2,3)4/h8-20H,7,21-22H2,1-6H3,(H,34,35)

InChI Key

CAPYDMCGKZVORQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.206

Distribution Coefficient, logD

7.206

Water Solubility, LogSw

-5.74

Polar Surface Area

70.515

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

8004-1503 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 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 8004-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1503?
Check Price and Availability of 8004-1503, 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 8004-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1503
  • 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 8004-1503 available by request