8018-4542 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3,4-diethoxybenzoate

8018-4542 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3,4-diethoxybenzoate
8018-4542 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3,4-diethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4542
(Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3,4-diethoxybenzoate

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

8018-4542

Molecular Formula

C24H31N3O4 (C24 H31 N3 O4)

Compound Name

(Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3,4-diethoxybenzoate

IUPAC name

(Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 34-diethoxybenzoate

SMILES

CCOc(ccc(C(O/N=C(/c1ccc(CN2CCCCC2)cc1)\N)=O)c1)c1OCC

InChI

InChI=1S/C24H31N3O4/c1-3-29-21-13-12-20(16-22(21)30-4-2)24(28)31-26-23(25)19-10-8-18(9-11-19)17-27-14-6-5-7-15-27/h8-13,16H,3-7,14-15,17H2,1-2H3,(H2,25,26)

InChI Key

FCPBKHHPDNMJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-3.04

Polar Surface Area

70.263

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8018-4542 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-4542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4542?
Check Price and Availability of 8018-4542, 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 8018-4542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4542
  • 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 8018-4542 available by request