8019-0743 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({1,1,1,3,3,3-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-2-hydroxypropanoate

8019-0743 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({1,1,1,3,3,3-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-2-hydroxypropanoate
8019-0743 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({1,1,1,3,3,3-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0743
ethyl 3,3,3-trifluoro-2-[4-({1,1,1,3,3,3-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-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

8019-0743

Molecular Formula

C22H19F9N2O4 (C22 H19 F9 N2 O4)

Compound Name

ethyl 3,3,3-trifluoro-2-[4-({1,1,1,3,3,3-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-2-hydroxypropanoate

IUPAC name

ethyl 333-trifluoro-2-[4-({111333-hexafluoro-2-[(4-methylphenyl)formamido]propan-2-yl}amino)phenyl]-2-hydroxypropanoate

SMILES

CCOC(C(C(F)(F)F)(c(cc1)ccc1NC(C(F)(F)F)(C(F)(F)F)NC(c1ccc(C)cc1)=O)O)=O

InChI

InChI=1S/C22H19F9N2O4/c1-3-37-17(35)18(36,20(23,24)25)14-8-10-15(11-9-14)32-19(21(26,27)28,22(29,30)31)33-16(34)13-6-4-12(2)5-7-13/h4-11,32,36H,3H2,1-2H3,(H,33,34)/t18-/m1/s1

InChI Key

YCKAACXWWYAYLA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00830502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

0.131

Water Solubility, LogSw

-5.21

Polar Surface Area

69.349

Acid Dissociation Constant (pKa)

2.24

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8019-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0743?
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What is the minimum amount of 8019-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0743
  • 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 8019-0743 available by request