0921-0004 Screening compound: (E)-1-(3-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

0921-0004 Screening compound: (E)-1-(3-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
0921-0004 Screening compound: (E)-1-(3-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0921-0004
(E)-1-(3-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

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

0921-0004

Molecular Formula

C16H23N3O2 (C16 H23 N3 O2)

Compound Name

(E)-1-(3-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

IUPAC name

(E)-1-(3-nitrophenyl)-N-(2266-tetramethylpiperidin-4-yl)methanimine

SMILES

CC(C)(C1)NC(C)(C)CC1/N=C/c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C16H23N3O2/c1-15(2)9-13(10-16(3,4)18-15)17-11-12-6-5-7-14(8-12)19(20)21/h5-8,11,13,18H,9-10H2,1-4H3

InChI Key

AZIJHASFLJCVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

-0.947

Water Solubility, LogSw

-3.26

Polar Surface Area

53.916

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

0921-0004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0921-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0921-0004?
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What is the minimum amount of 0921-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0921-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0921-0004
  • 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 0921-0004 available by request