E199-0081 Screening compound: ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]benzoate

E199-0081 Screening compound: ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]benzoate
E199-0081 Screening compound: ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0081
ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]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

E199-0081

Molecular Formula

C17H19BrN4O5S (C17 H19 BrN4 O5 S)

Compound Name

ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]benzoate

IUPAC name

ethyl 4-[3-(2-amino-5-bromopyridine-3-sulfonamido)propanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCNS(c1cc(Br)cnc1N)(=O)=O)=O)=O

InChI

InChI=1S/C17H19BrN4O5S/c1-2-27-17(24)11-3-5-13(6-4-11)22-15(23)7-8-21-28(25,26)14-9-12(18)10-20-16(14)19/h3-6,9-10,21H,2,7-8H2,1H3,(H2,19,20)(H,22,23)

InChI Key

GPUDFUBFPFXNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-3.02

Polar Surface Area

115.575

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E199-0081 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with E199-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0081?
Check Price and Availability of E199-0081, 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 E199-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0081
  • 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 E199-0081 available by request