E591-0672 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

E591-0672 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
E591-0672 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0672
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

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

E591-0672

Molecular Formula

C16H24N6O (C16 H24 N6 O)

Compound Name

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-[6-(diethylamino)-[124]triazolo[43-b]pyridazin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

CCN(CC)c(cc1)nn2c1nnc2CCC(N1CCCC1)=O

InChI

InChI=1S/C16H24N6O/c1-3-20(4-2)15-8-7-13-17-18-14(22(13)19-15)9-10-16(23)21-11-5-6-12-21/h7-8H,3-6,9-12H2,1-2H3

InChI Key

BFFFPMLMXNAIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

1.240

Water Solubility, LogSw

-1.83

Polar Surface Area

52.331

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

E591-0672 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E591-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0672?
Check Price and Availability of E591-0672, 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 E591-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0672
  • 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 E591-0672 available by request