8014-1629 Screening compound: N~1~-[1-({[(Z)-1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino}oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide

8014-1629 Screening compound: N~1~-[1-({[(Z)-1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino}oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide
8014-1629 Screening compound: N~1~-[1-({[(Z)-1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino}oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1629
N~1~-[1-({[(Z)-1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino}oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide

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

8014-1629

Molecular Formula

C22H22ClF6N3O4 (C22 H22 ClF6 N3 O4)

Compound Name

N~1~-[1-({[(Z)-1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino}oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-chlorobenzamide

IUPAC name

N-(2-{[(Z)-[1-amino-2-(34-diethoxyphenyl)ethylidene]amino]oxy}-111333-hexafluoropropan-2-yl)-3-chlorobenzamide

SMILES

CCOc(ccc(C/C(/N)=N/OC(C(F)(F)F)(C(F)(F)F)NC(c1cccc(Cl)c1)=O)c1)c1OCC

InChI

InChI=1S/C22H22ClF6N3O4/c1-3-34-16-9-8-13(10-17(16)35-4-2)11-18(30)32-36-20(21(24,25)26,22(27,28)29)31-19(33)14-6-5-7-15(23)12-14/h5-10,12H,3-4,11H2,1-2H3,(H2,30,32)(H,31,33)

InChI Key

AVJKYSCKCXZVMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

-1.505

Water Solubility, LogSw

-4.70

Polar Surface Area

77.116

Acid Dissociation Constant (pKa)

1.30

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8014-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1629?
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What is the minimum amount of 8014-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1629
  • 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 8014-1629 available by request