E717-0151 Screening compound: 3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

E717-0151 Screening compound: 3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
E717-0151 Screening compound: 3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0151
3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-4-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

E717-0151

Molecular Formula

C27H31N5O2 (C27 H31 N5 O2)

Compound Name

3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-propyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CCCn1c(C(N(CC(N(CC2)CC(C)N2c2cc(C)ccc2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C27H31N5O2/c1-4-12-31-24-11-6-5-10-22(24)23-16-28-32(27(34)26(23)31)18-25(33)29-13-14-30(20(3)17-29)21-9-7-8-19(2)15-21/h5-11,15-16,20H,4,12-14,17-18H2,1-3H3/t20-/m0/s1

InChI Key

IIHHOTPLLNMJNK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14912061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-3.99

Polar Surface Area

48.193

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

E717-0151 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 E717-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0151?
Check Price and Availability of E717-0151, 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 E717-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0151
  • 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 E717-0151 available by request