E199-0139 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide

E199-0139 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide
E199-0139 Screening compound: 3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0139
3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide

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

E199-0139

Molecular Formula

C18H23BrN4O3S (C18 H23 BrN4 O3 S)

Compound Name

3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide

IUPAC name

3-(2-amino-5-bromopyridine-3-sulfonamido)-N-(1-phenylbutan-2-yl)propanamide

SMILES

CCC(Cc1ccccc1)NC(CCNS(c1cc(Br)cnc1N)(=O)=O)=O

InChI

InChI=1S/C18H23BrN4O3S/c1-2-15(10-13-6-4-3-5-7-13)23-17(24)8-9-22-27(25,26)16-11-14(19)12-21-18(16)20/h3-7,11-12,15,22H,2,8-10H2,1H3,(H2,20,21)(H,23,24)/t15-/m0/s1

InChI Key

ALGHSDXFZRDTTE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14845177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.49

Polar Surface Area

96.052

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E199-0139 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 E199-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0139?
Check Price and Availability of E199-0139, 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 E199-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0139
  • 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 E199-0139 available by request