D470-0073 Screening compound: 2-(3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]sulfonyl}-4-methylphenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D470-0073 Screening compound: 2-(3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]sulfonyl}-4-methylphenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D470-0073 Screening compound: 2-(3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]sulfonyl}-4-methylphenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0073
2-(3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]sulfonyl}-4-methylphenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

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

D470-0073

Molecular Formula

C21H24N2O7S2 (C21 H24 N2 O7 S2)

Compound Name

2-(3-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]sulfonyl}-4-methylphenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-{3-[(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)sulfonyl]-4-methylphenyl}-1lambda62-thiazolidine-113-trione

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(N(CC1)Cc(cc2OC)c1cc2OC)(=O)=O

InChI

InChI=1S/C21H24N2O7S2/c1-14-4-5-17(23-21(24)7-9-31(23,25)26)12-20(14)32(27,28)22-8-6-15-10-18(29-2)19(30-3)11-16(15)13-22/h4-5,10-12H,6-9,13H2,1-3H3

InChI Key

LJSXYZLUPDMMSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.47

Polar Surface Area

92.289

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D470-0073 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0073?
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What is the minimum amount of D470-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0073
  • 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 D470-0073 available by request