5605-0015 Screening compound: 9-(2,5-dihydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,6H,7H,8H-pyrido[1,2-a]pyrazine-1,4-dione

5605-0015 Screening compound: 9-(2,5-dihydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,6H,7H,8H-pyrido[1,2-a]pyrazine-1,4-dione
5605-0015 Screening compound: 9-(2,5-dihydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,6H,7H,8H-pyrido[1,2-a]pyrazine-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5605-0015
9-(2,5-dihydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,6H,7H,8H-pyrido[1,2-a]pyrazine-1,4-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

5605-0015

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

9-(2,5-dihydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,6H,7H,8H-pyrido[1,2-a]pyrazine-1,4-dione

IUPAC name

9-(25-dihydroxyphenyl)-2-[2-(34-dimethoxyphenyl)ethyl]-1H2H3H4H6H7H8H-pyrido[12-a]pyrazine-14-dione

SMILES

COc(ccc(CCN(CC(N(CCC1)C2=C1c(cc(cc1)O)c1O)=O)C2=O)c1)c1OC

InChI

InChI=1S/C24H26N2O6/c1-31-20-8-5-15(12-21(20)32-2)9-11-25-14-22(29)26-10-3-4-17(23(26)24(25)30)18-13-16(27)6-7-19(18)28/h5-8,12-13,27-28H,3-4,9-11,14H2,1-2H3

InChI Key

ROCAULGGQCQUSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-2.58

Polar Surface Area

82.316

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5605-0015 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 5605-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5605-0015?
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What is the minimum amount of 5605-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5605-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5605-0015
  • 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 5605-0015 available by request