H027-0084 Screening compound: 6-HYDROXY-1,4-DIMETHYL-2-[(PHENYLSULFONYL)METHYL]-7-(3-PYRIDYL)-4,5-DIHYDROPYRROLO[4,3,2-DE]ISOQUINOLIN-3(1H)-ONE

H027-0084 Screening compound: 6-HYDROXY-1,4-DIMETHYL-2-[(PHENYLSULFONYL)METHYL]-7-(3-PYRIDYL)-4,5-DIHYDROPYRROLO[4,3,2-DE]ISOQUINOLIN-3(1H)-ONE
H027-0084 Screening compound: 6-HYDROXY-1,4-DIMETHYL-2-[(PHENYLSULFONYL)METHYL]-7-(3-PYRIDYL)-4,5-DIHYDROPYRROLO[4,3,2-DE]ISOQUINOLIN-3(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0084
6-HYDROXY-1,4-DIMETHYL-2-[(PHENYLSULFONYL)METHYL]-7-(3-PYRIDYL)-4,5-DIHYDROPYRROLO[4,3,2-DE]ISOQUINOLIN-3(1H)-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

H027-0084

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

6-HYDROXY-1,4-DIMETHYL-2-[(PHENYLSULFONYL)METHYL]-7-(3-PYRIDYL)-4,5-DIHYDROPYRROLO[4,3,2-DE]ISOQUINOLIN-3(1H)-ONE

IUPAC name

n/a

SMILES

Cn(c(CS(c1ccccc1)(=O)=O)c1C(N(C)C2)=O)c(cc3-c4cnccc4)c1c2c3O

InChI

InChI=1S/C24H21N3O4S/c1-26-13-18-21-19(11-17(23(18)28)15-7-6-10-25-12-15)27(2)20(22(21)24(26)29)14-32(30,31)16-8-4-3-5-9-16/h3-12,28H,13-14H2,1-2H3

InChI Key

YOPWOUBSCDDNIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-2.98

Polar Surface Area

71.788

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

H027-0084 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with H027-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0084?
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What is the minimum amount of H027-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0084
  • 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 H027-0084 available by request