5119-5482 Screening compound: 2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

5119-5482 Screening compound: 2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
5119-5482 Screening compound: 2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-5482
2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

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

5119-5482

Molecular Formula

C16H15Cl2F6NO3 (C16 H15 Cl2 F6 NO3)

Compound Name

2,4-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

IUPAC name

24-dichloro-N-{2-[(3-ethyloxetan-3-yl)methoxy]-111333-hexafluoropropan-2-yl}benzamide

SMILES

CCC1(COC(C(F)(F)F)(C(F)(F)F)NC(c(ccc(Cl)c2)c2Cl)=O)COC1

InChI

InChI=1S/C16H15Cl2F6NO3/c1-2-13(6-27-7-13)8-28-14(15(19,20)21,16(22,23)24)25-12(26)10-4-3-9(17)5-11(10)18/h3-5H,2,6-8H2,1H3,(H,25,26)

InChI Key

ZFOLETBXUURJTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

-0.876

Water Solubility, LogSw

-5.70

Polar Surface Area

41.208

Acid Dissociation Constant (pKa)

1.30

Base Dissociation Constant (pKb)

-12.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 5119-5482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-5482?
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What is the minimum amount of 5119-5482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-5482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-5482
  • 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 5119-5482 available by request