E591-0649 Screening compound: N-(butan-2-yl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0649 Screening compound: N-(butan-2-yl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0649 Screening compound: N-(butan-2-yl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0649
N-(butan-2-yl)-3-[6-(diethylamino)-[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

E591-0649

Molecular Formula

C16H26N6O (C16 H26 N6 O)

Compound Name

N-(butan-2-yl)-3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-(butan-2-yl)-3-[6-(diethylamino)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

CCC(C)NC(CCc1nnc(cc2)n1nc2N(CC)CC)=O

InChI

InChI=1S/C16H26N6O/c1-5-12(4)17-16(23)11-10-14-19-18-13-8-9-15(20-22(13)14)21(6-2)7-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,23)/t12-/m0/s1

InChI Key

YOSMCTOGQBKXDY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14901538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.462

Distribution Coefficient, logD

1.462

Water Solubility, LogSw

-2.14

Polar Surface Area

59.757

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

E591-0649 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E591-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0649?
Check Price and Availability of E591-0649, 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 E591-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0649
  • 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 E591-0649 available by request