5119-1126 Screening compound: ethyl 3,3,3-trifluoro-2-propanamido-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate

5119-1126 Screening compound: ethyl 3,3,3-trifluoro-2-propanamido-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate
5119-1126 Screening compound: ethyl 3,3,3-trifluoro-2-propanamido-2-({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-1126
ethyl 3,3,3-trifluoro-2-propanamido-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

5119-1126

Molecular Formula

C18H20F3N5O5S (C18 H20 F3 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(NC(C(F)(F)F)(C(OCC)=O)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C18H20F3N5O5S/c1-3-14(27)25-17(18(19,20)21,15(28)31-4-2)24-12-6-8-13(9-7-12)32(29,30)26-16-22-10-5-11-23-16/h5-11,24H,3-4H2,1-2H3,(H,25,27)(H,22,23,26)/t17-/m0/s1

InChI Key

XYGOTTPSAUZKGN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00844207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.45

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

1.668

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.91

Polar Surface Area

115.558

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5119-1126 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5119-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-1126?
Check Price and Availability of 5119-1126, 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 5119-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-1126
  • 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 5119-1126 available by request