E591-0715 Screening compound: methyl 2-{3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-methylbutanoate

E591-0715 Screening compound: methyl 2-{3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-methylbutanoate
E591-0715 Screening compound: methyl 2-{3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0715
methyl 2-{3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-methylbutanoate

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

E591-0715

Molecular Formula

C18H28N6O3 (C18 H28 N6 O3)

Compound Name

methyl 2-{3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}-3-methylbutanoate

IUPAC name

methyl 2-{3-[6-(diethylamino)-[124]triazolo[43-b]pyridazin-3-yl]propanamido}-3-methylbutanoate

SMILES

CCN(CC)c(cc1)nn2c1nnc2CCC(NC(C(C)C)C(OC)=O)=O

InChI

InChI=1S/C18H28N6O3/c1-6-23(7-2)15-9-8-13-20-21-14(24(13)22-15)10-11-16(25)19-17(12(3)4)18(26)27-5/h8-9,12,17H,6-7,10-11H2,1-5H3,(H,19,25)/t17-/m0/s1

InChI Key

MVTPHTGCNZGPAU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14901579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.543

Distribution Coefficient, logD

1.543

Water Solubility, LogSw

-2.07

Polar Surface Area

80.842

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

E591-0715 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E591-0715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0715?
Check Price and Availability of E591-0715, 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 E591-0715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0715
  • 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 E591-0715 available by request