E524-1518 Screening compound: 5-(4-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}benzyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one

E524-1518 Screening compound: 5-(4-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}benzyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one
E524-1518 Screening compound: 5-(4-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}benzyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-1518
5-(4-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}benzyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-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

E524-1518

Molecular Formula

C30H29N5O2 (C30 H29 N5 O2)

Compound Name

5-(4-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}benzyl)pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6(5H)-one

IUPAC name

8-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-7-one

SMILES

CC(CN(CC1)C(c2ccc(CN(C3=O)c4ncccc4-n4c3ccc4)cc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C30H29N5O2/c1-21-6-3-7-25(18-21)33-17-16-32(19-22(33)2)29(36)24-12-10-23(11-13-24)20-35-28-26(8-4-14-31-28)34-15-5-9-27(34)30(35)37/h3-15,18,22H,16-17,19-20H2,1-2H3/t22-/m0/s1

InChI Key

YZSAPFZGLZRQBV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14895091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.42

Polar Surface Area

46.423

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

E524-1518 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E524-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-1518?
Check Price and Availability of E524-1518, 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 E524-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-1518
  • 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 E524-1518 available by request