5119-3390 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate

5119-3390 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate
5119-3390 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-3390
ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}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

5119-3390

Molecular Formula

C22H20F3N5O5S (C22 H20 F3 N5 O5 S)

Compound Name

ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate

IUPAC name

ethyl 333-trifluoro-2-(phenylformamido)-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c1ccccc1)=O)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C22H20F3N5O5S/c1-2-35-19(32)21(22(23,24)25,29-18(31)15-7-4-3-5-8-15)28-16-9-11-17(12-10-16)36(33,34)30-20-26-13-6-14-27-20/h3-14,28H,2H2,1H3,(H,29,31)(H,26,27,30)/t21-/m0/s1

InChI Key

BDZXFPKNFTZOSC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14710366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-3.35

Polar Surface Area

115.500

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

5119-3390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5119-3390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-3390?
Check Price and Availability of 5119-3390, 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 5119-3390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-3390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-3390
  • 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 5119-3390 available by request