E591-0210 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0210 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0210 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0210
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

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

E591-0210

Molecular Formula

C22H32N6O (C22 H32 N6 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-methylpiperidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

CC(CC1)CCN1c(cc1)nn2c1nnc2CCC(NCCC1=CCCCC1)=O

InChI

InChI=1S/C22H32N6O/c1-17-12-15-27(16-13-17)21-8-7-19-24-25-20(28(19)26-21)9-10-22(29)23-14-11-18-5-3-2-4-6-18/h5,7-8,17H,2-4,6,9-16H2,1H3,(H,23,29)

InChI Key

FBWJKEFTAHDLPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-2.98

Polar Surface Area

60.794

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

E591-0210 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E591-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0210?
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What is the minimum amount of E591-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0210
  • 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 E591-0210 available by request