8019-0759 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-2-hydroxypropanoate

8019-0759 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-2-hydroxypropanoate
8019-0759 Screening compound: ethyl 3,3,3-trifluoro-2-[4-({[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0759
ethyl 3,3,3-trifluoro-2-[4-({[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-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

8019-0759

Molecular Formula

C22H18F10N2O6 (C22 H18 F10 N2 O6)

Compound Name

ethyl 3,3,3-trifluoro-2-[4-({[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-2-hydroxypropanoate

IUPAC name

ethyl 333-trifluoro-2-[4-({[111333-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]carbamoyl}amino)-3-methoxyphenyl]-2-hydroxypropanoate

SMILES

CCOC(C(C(F)(F)F)(c(cc1)cc(OC)c1NC(NC(C(F)(F)F)(C(F)(F)F)Oc(cc1)ccc1F)=O)O)=O

InChI

InChI=1S/C22H18F10N2O6/c1-3-39-16(35)18(37,20(24,25)26)11-4-9-14(15(10-11)38-2)33-17(36)34-19(21(27,28)29,22(30,31)32)40-13-7-5-12(23)6-8-13/h4-10,37H,3H2,1-2H3,(H2,33,34,36)/t18-/m1/s1

InChI Key

FXONQMPFUWYJHM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01566955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-5.40

Polar Surface Area

83.267

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8019-0759 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0759?
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What is the minimum amount of 8019-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0759
  • 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 8019-0759 available by request