D473-1315 Screening compound: 2-(3-chloro-4-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D473-1315 Screening compound: 2-(3-chloro-4-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D473-1315 Screening compound: 2-(3-chloro-4-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1315
2-(3-chloro-4-{[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)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

D473-1315

Molecular Formula

C21H21ClN2O6S (C21 H21 ClN2 O6 S)

Compound Name

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

IUPAC name

2-[3-chloro-4-(67-dimethoxy-1234-tetrahydroisoquinoline-2-carbonyl)phenyl]-1lambda62-thiazolidine-113-trione

SMILES

COc1cc(CCN(C2)C(c(ccc(N(C(CC3)=O)S3(=O)=O)c3)c3Cl)=O)c2cc1OC

InChI

InChI=1S/C21H21ClN2O6S/c1-29-18-9-13-5-7-23(12-14(13)10-19(18)30-2)21(26)16-4-3-15(11-17(16)22)24-20(25)6-8-31(24,27)28/h3-4,9-11H,5-8,12H2,1-2H3

InChI Key

VJQPRMLYWVNCST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-3.06

Polar Surface Area

77.226

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D473-1315 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 D473-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1315?
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What is the minimum amount of D473-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1315
  • 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 D473-1315 available by request