8005-9016 Screening compound: N-(4-{4-[1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)acetamide

8005-9016 Screening compound: N-(4-{4-[1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)acetamide
8005-9016 Screening compound: N-(4-{4-[1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9016
N-(4-{4-[1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)acetamide

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

8005-9016

Molecular Formula

C31H24F6N2O4 (C31 H24 F6 N2 O4)

Compound Name

N-(4-{4-[1-{4-[4-(acetylamino)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)acetamide

IUPAC name

N-[4-(4-{2-[4-(4-acetamidophenoxy)phenyl]-111333-hexafluoropropan-2-yl}phenoxy)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1Oc1ccc(C(C(F)(F)F)(C(F)(F)F)c(cc2)ccc2Oc(cc2)ccc2NC(C)=O)cc1)=O

InChI

InChI=1S/C31H24F6N2O4/c1-19(40)38-23-7-15-27(16-8-23)42-25-11-3-21(4-12-25)29(30(32,33)34,31(35,36)37)22-5-13-26(14-6-22)43-28-17-9-24(10-18-28)39-20(2)41/h3-18H,1-2H3,(H,38,40)(H,39,41)

InChI Key

HYLDPXKTYUQJDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.406

Distribution Coefficient, logD

7.406

Water Solubility, LogSw

-5.86

Polar Surface Area

59.986

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.13

References: we are preparing a list of scientific research reports with 8005-9016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9016?
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What is the minimum amount of 8005-9016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9016
  • 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 8005-9016 available by request