0547-0568 Screening compound: N-(4-bromophenyl)-2,3,3,3-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxy}propanamide

0547-0568 Screening compound: N-(4-bromophenyl)-2,3,3,3-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxy}propanamide
0547-0568 Screening compound: N-(4-bromophenyl)-2,3,3,3-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxy}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0547-0568
N-(4-bromophenyl)-2,3,3,3-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxy}propanamide

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

0547-0568

Molecular Formula

C15H5BrF17NO3 (C15 H5 BrF17 NO3)

Compound Name

N-(4-bromophenyl)-2,3,3,3-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxy}propanamide

IUPAC name

N-(4-bromophenyl)-2333-tetrafluoro-2-{[111233-hexafluoro-3-(1122333-heptafluoropropoxy)propan-2-yl]oxy}propanamide

SMILES

O=C(C(C(F)(F)F)(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H5BrF17NO3/c16-5-1-3-6(4-2-5)34-7(35)8(17,11(21,22)23)36-10(20,13(27,28)29)15(32,33)37-14(30,31)9(18,19)12(24,25)26/h1-4H,(H,34,35)

InChI Key

KXJDIALQJFVHGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00626918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.09

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.881

Distribution Coefficient, logD

7.875

Water Solubility, LogSw

-6.27

Polar Surface Area

33.821

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 0547-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0547-0568?
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What is the minimum amount of 0547-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0547-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0547-0568
  • 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 0547-0568 available by request