4358-7647 Screening compound: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide

4358-7647 Screening compound: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
4358-7647 Screening compound: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-7647
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide

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

4358-7647

Molecular Formula

C17H13F6NO3 (C17 H13 F6 NO3)

Compound Name

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide

IUPAC name

N-[4-(111333-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc1ccc(C(C(F)(F)F)(C(F)(F)F)O)cc1)=O

InChI

InChI=1S/C17H13F6NO3/c1-27-13-5-3-2-4-12(13)14(25)24-11-8-6-10(7-9-11)15(26,16(18,19)20)17(21,22)23/h2-9,26H,1H3,(H,24,25)

InChI Key

HVFCTNTXKTVUEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.03

Polar Surface Area

46.028

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 4358-7647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-7647?
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What is the minimum amount of 4358-7647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-7647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-7647
  • 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 4358-7647 available by request