L059-0080 Screening compound: 1-{[4-(4-BENZYLPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-4-ETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE

L059-0080 Screening compound: 1-{[4-(4-BENZYLPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-4-ETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE
L059-0080 Screening compound: 1-{[4-(4-BENZYLPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-4-ETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0080
1-{[4-(4-BENZYLPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-4-ETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE

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

L059-0080

Molecular Formula

C30H31N3O3 (C30 H31 N3 O3)

Compound Name

1-{[4-(4-BENZYLPIPERIDINE-1-CARBONYL)PHENYL]METHYL}-4-ETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE

IUPAC name

n/a

SMILES

CCN(c(cccc1)c1N(Cc(cc1)ccc1C(N1CCC(Cc2ccccc2)CC1)=O)C1=O)C1=O

InChI

InChI=1S/C30H31N3O3/c1-2-32-26-10-6-7-11-27(26)33(30(36)29(32)35)21-24-12-14-25(15-13-24)28(34)31-18-16-23(17-19-31)20-22-8-4-3-5-9-22/h3-15,23H,2,16-21H2,1H3

InChI Key

ZSZQYAGWYUHFBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.53

Polar Surface Area

46.896

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L059-0080 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L059-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0080?
Check Price and Availability of L059-0080, 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 L059-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0080
  • 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 L059-0080 available by request