E145-0059 Screening compound: ethyl 3-(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamido)benzoate

E145-0059 Screening compound: ethyl 3-(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamido)benzoate
E145-0059 Screening compound: ethyl 3-(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E145-0059
ethyl 3-(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamido)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

E145-0059

Molecular Formula

C19H19N3O6S (C19 H19 N3 O6 S)

Compound Name

ethyl 3-(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamido)benzoate

IUPAC name

ethyl 3-(3-methyl-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)cc(NC(C3C)=O)c2NC3=O)(=O)=O)c1)=O

InChI

InChI=1S/C19H19N3O6S/c1-3-28-19(25)12-5-4-6-13(9-12)22-29(26,27)14-7-8-15-16(10-14)21-18(24)11(2)17(23)20-15/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)/t11-/m1/s1

InChI Key

KYTYZUUMVYRQPL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14842410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.493

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-3.00

Polar Surface Area

111.807

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

E145-0059 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E145-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E145-0059?
Check Price and Availability of E145-0059, 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 E145-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E145-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E145-0059
  • 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 E145-0059 available by request