8019-0748 Screening compound: ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

8019-0748 Screening compound: ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
8019-0748 Screening compound: ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0748
ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

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

8019-0748

Molecular Formula

C19H18ClF3N2O4 (C19 H18 ClF3 N2 O4)

Compound Name

ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

ethyl 2-(4-{[(4-chlorophenyl)carbamoyl](methyl)amino}phenyl)-333-trifluoro-2-hydroxypropanoate

SMILES

CCOC(C(C(F)(F)F)(c(cc1)ccc1N(C)C(Nc(cc1)ccc1Cl)=O)O)=O

InChI

InChI=1S/C19H18ClF3N2O4/c1-3-29-16(26)18(28,19(21,22)23)12-4-10-15(11-5-12)25(2)17(27)24-14-8-6-13(20)7-9-14/h4-11,28H,3H2,1-2H3,(H,24,27)/t18-/m1/s1

InChI Key

HBLNFATUEDJFBD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00345139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.874

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.37

Polar Surface Area

60.250

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8019-0748 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0748?
Check Price and Availability of 8019-0748, 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 8019-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0748
  • 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 8019-0748 available by request