8018-4783 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3-nitrobenzoate

8018-4783 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3-nitrobenzoate
8018-4783 Screening compound: (Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4783
(Z)-[amino({4-[(piperidin-1-yl)methyl]phenyl})methylidene]amino 3-nitrobenzoate

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

8018-4783

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

N/C(/c1ccc(CN2CCCCC2)cc1)=N\OC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H22N4O4/c21-19(22-28-20(25)17-5-4-6-18(13-17)24(26)27)16-9-7-15(8-10-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,22)

InChI Key

JGYJJSUNHBUKKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

1.427

Water Solubility, LogSw

-3.25

Polar Surface Area

89.224

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8018-4783 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4783?
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What is the minimum amount of 8018-4783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4783
  • 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 8018-4783 available by request