8019-1301 Screening compound: ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate

8019-1301 Screening compound: ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate
8019-1301 Screening compound: ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1301
ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate

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

8019-1301

Molecular Formula

C13H15ClF3N3O5S (C13 H15 ClF3 N3 O5 S)

Compound Name

ethyl 2-(2-chloroacetamido)-3,3,3-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate

IUPAC name

ethyl 2-(2-chloroacetamido)-333-trifluoro-2-[(4-sulfamoylphenyl)amino]propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(CCl)=O)Nc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C13H15ClF3N3O5S/c1-2-25-11(22)12(13(15,16)17,20-10(21)7-14)19-8-3-5-9(6-4-8)26(18,23)24/h3-6,19H,2,7H2,1H3,(H,20,21)(H2,18,23,24)/t12-/m0/s1

InChI Key

XOZYFGRDMLNHHD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01655372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

0.147

Water Solubility, LogSw

-2.10

Polar Surface Area

104.942

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8019-1301 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1301?
Check Price and Availability of 8019-1301, 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 8019-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1301
  • 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 8019-1301 available by request