8005-0673 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-bromobenzoate

8005-0673 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-bromobenzoate
8005-0673 Screening compound: 2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0673
2-ethoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 4-bromobenzoate

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

8005-0673

Molecular Formula

C32H37BrN2O5 (C32 H37 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/NC(COc1ccc(C(C)(C)CC(C)(C)C)cc1)=O)cc1)c1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C32H37BrN2O5/c1-7-38-28-18-22(8-17-27(28)40-30(37)23-9-13-25(33)14-10-23)19-34-35-29(36)20-39-26-15-11-24(12-16-26)32(5,6)21-31(2,3)4/h8-19H,7,20-21H2,1-6H3,(H,35,36)

InChI Key

UMFJCFIFVQRQFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.56

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

8.145

Distribution Coefficient, logD

8.145

Water Solubility, LogSw

-5.73

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

8005-0673 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 8005-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0673?
Check Price and Availability of 8005-0673, 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 8005-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0673
  • 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 8005-0673 available by request