8018-5523 Screening compound: 3-tert-butyl-N,N'-bis(4-methylpyridin-2-yl)hexanediamide

8018-5523 Screening compound: 3-tert-butyl-N,N'-bis(4-methylpyridin-2-yl)hexanediamide
8018-5523 Screening compound: 3-tert-butyl-N,N'-bis(4-methylpyridin-2-yl)hexanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5523
3-tert-butyl-N,N'-bis(4-methylpyridin-2-yl)hexanediamide

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

8018-5523

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

3-tert-butyl-N,N'-bis(4-methylpyridin-2-yl)hexanediamide

IUPAC name

3-tert-butyl-NN'-bis(4-methylpyridin-2-yl)hexanediamide

SMILES

CC(C)(C)C(CCC(Nc1nccc(C)c1)=O)CC(Nc1nccc(C)c1)=O

InChI

InChI=1S/C22H30N4O2/c1-15-8-10-23-18(12-15)25-20(27)7-6-17(22(3,4)5)14-21(28)26-19-13-16(2)9-11-24-19/h8-13,17H,6-7,14H2,1-5H3,(H,23,25,27)(H,24,26,28)/t17-/m0/s1

InChI Key

JUTUKXIEVKZCKI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07800477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-3.99

Polar Surface Area

65.495

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

8018-5523 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-5523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5523?
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What is the minimum amount of 8018-5523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5523
  • 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 8018-5523 available by request