D470-2046 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2046 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2046 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2046
(3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methoxyphenyl)sulfonyl]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

D470-2046

Molecular Formula

C18H27NO5S2 (C18 H27 NO5 S2)

Compound Name

(3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-[(3R5S)-35-dimethylpiperidin-1-yl]-4-(4-methoxybenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

C[C@H](C[C@H](C)C1)CN1[C@@H](CS(C1)(=O)=O)[C@H]1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C18H27NO5S2/c1-13-8-14(2)10-19(9-13)17-11-25(20,21)12-18(17)26(22,23)16-6-4-15(24-3)5-7-16/h4-7,13-14,17-18H,8-12H2,1-3H3/t13-,14-,17+,18+/m0/s1

InChI Key

ANLMDYFIHLZDDW-LBTBCDHLSA-N

MDL Number (MFCD)

MFCD10089136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.882

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.44

Polar Surface Area

68.338

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.70

D470-2046 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D470-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2046?
Check Price and Availability of D470-2046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D470-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2046
  • 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 D470-2046 available by request