1070-0029 Screening compound: [(4Z)-1,2,5-trimethylpiperidin-4-ylidene]amino benzoate

1070-0029 Screening compound: [(4Z)-1,2,5-trimethylpiperidin-4-ylidene]amino benzoate
1070-0029 Screening compound: [(4Z)-1,2,5-trimethylpiperidin-4-ylidene]amino benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1070-0029
[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]amino benzoate

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

1070-0029

Molecular Formula

C15H20N2O2 (C15 H20 N2 O2)

Compound Name

[(4Z)-1,2,5-trimethylpiperidin-4-ylidene]amino benzoate

IUPAC name

[(4Z)-125-trimethylpiperidin-4-ylidene]amino benzoate

SMILES

CC(CN(C)C(C)C1)/C1=N\OC(c1ccccc1)=O

InChI

InChI=1S/C15H20N2O2/c1-11-10-17(3)12(2)9-14(11)16-19-15(18)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3

InChI Key

BHUGEYWWNUWAAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994297

Chemical and Physical Properties

Saltdata

HOOCCH2CH2COOH

Molecular Weight

260.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-2.52

Polar Surface Area

34.665

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

1070-0029 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1070-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1070-0029?
Check Price and Availability of 1070-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1070-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1070-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1070-0029
  • 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 1070-0029 available by request