8004-7620 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

8004-7620 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate
8004-7620 Screening compound: 3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7620
3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

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

8004-7620

Molecular Formula

C33H40N2O7 (C33 H40 N2 O7)

Compound Name

3-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

3-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 345-trimethoxybenzoate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c1cccc(OC(c(cc2OC)cc(OC)c2OC)=O)c1)=O

InChI

InChI=1S/C33H40N2O7/c1-32(2,3)21-33(4,5)24-12-14-25(15-13-24)41-20-29(36)35-34-19-22-10-9-11-26(16-22)42-31(37)23-17-27(38-6)30(40-8)28(18-23)39-7/h9-19H,20-21H2,1-8H3,(H,35,36)

InChI Key

OVRSTRRVADPWAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00305565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.524

Distribution Coefficient, logD

6.524

Water Solubility, LogSw

-5.73

Polar Surface Area

86.196

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8004-7620 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 8004-7620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7620?
Check Price and Availability of 8004-7620, 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 8004-7620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7620
  • 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 8004-7620 available by request