8014-1457 Screening compound: N-(2-{[(Z)-[1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino]oxy}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide

8014-1457 Screening compound: N-(2-{[(Z)-[1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino]oxy}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide
8014-1457 Screening compound: N-(2-{[(Z)-[1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino]oxy}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1457
N-(2-{[(Z)-[1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino]oxy}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-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

8014-1457

Molecular Formula

C23H25F6N3O5 (C23 H25 F6 N3 O5)

Compound Name

N-(2-{[(Z)-[1-amino-2-(3,4-diethoxyphenyl)ethylidene]amino]oxy}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide

IUPAC name

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

SMILES

CCOc(ccc(C/C(/N)=N/OC(C(F)(F)F)(C(F)(F)F)NC(c1cc(OC)ccc1)=O)c1)c1OCC

InChI

InChI=1S/C23H25F6N3O5/c1-4-35-17-10-9-14(11-18(17)36-5-2)12-19(30)32-37-21(22(24,25)26,23(27,28)29)31-20(33)15-7-6-8-16(13-15)34-3/h6-11,13H,4-5,12H2,1-3H3,(H2,30,32)(H,31,33)

InChI Key

UNOFOYOVMFMCPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

-0.600

Water Solubility, LogSw

-4.38

Polar Surface Area

84.660

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8014-1457 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1457?
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What is the minimum amount of 8014-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1457
  • 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 8014-1457 available by request