8001-6777 Screening compound: 2-(phenylformamido)ethyl 3,4,5-trimethoxybenzoate

8001-6777 Screening compound: 2-(phenylformamido)ethyl 3,4,5-trimethoxybenzoate
8001-6777 Screening compound: 2-(phenylformamido)ethyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-6777
2-(phenylformamido)ethyl 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

8001-6777

Molecular Formula

C19H21NO6 (C19 H21 NO6)

Compound Name

2-(phenylformamido)ethyl 3,4,5-trimethoxybenzoate

IUPAC name

2-(phenylformamido)ethyl 345-trimethoxybenzoate

SMILES

COc1cc(C(OCCNC(c2ccccc2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H21NO6/c1-23-15-11-14(12-16(24-2)17(15)25-3)19(22)26-10-9-20-18(21)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)

InChI Key

UHWFNTAGZXSIPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00364353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-3.08

Polar Surface Area

68.519

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8001-6777 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8001-6777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-6777?
Check Price and Availability of 8001-6777, 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 8001-6777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-6777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-6777
  • 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 8001-6777 available by request