D470-1752 Screening compound: (3S,4R)-3-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1752 Screening compound: (3S,4R)-3-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1752 Screening compound: (3S,4R)-3-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1752
(3S,4R)-3-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-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

D470-1752

Molecular Formula

C19H21NO4S2 (C19 H21 NO4 S2)

Compound Name

(3S,4R)-3-[3,4-dihydro-2(1H)-isoquinolinyl]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(benzenesulfonyl)-4-(1234-tetrahydroisoquinolin-2-yl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)Cc2c1cccc2)(c1ccccc1)=O

InChI

InChI=1S/C19H21NO4S2/c21-25(22)13-18(20-11-10-15-6-4-5-7-16(15)12-20)19(14-25)26(23,24)17-8-2-1-3-9-17/h1-9,18-19H,10-14H2/t18-,19-/m1/s1

InChI Key

RFWAXQXHXUWDPZ-RTBURBONSA-N

MDL Number (MFCD)

MFCD10042943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.37

Polar Surface Area

60.589

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.80

D470-1752 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D470-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1752?
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What is the minimum amount of D470-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1752
  • 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 D470-1752 available by request