D470-1864 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1864 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1864 Screening compound: (3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1864
(3S,4R)-3-[(3R,5S)-3,5-dimethyltetrahydro-1(2H)-pyridinyl]-4-[(4-methylphenyl)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

D470-1864

Molecular Formula

C18H27NO4S2 (C18 H27 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

C[C@H](C[C@H](C)C1)CN1[C@@H](CS(C1)(=O)=O)[C@H]1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C18H27NO4S2/c1-13-4-6-16(7-5-13)25(22,23)18-12-24(20,21)11-17(18)19-9-14(2)8-15(3)10-19/h4-7,14-15,17-18H,8-12H2,1-3H3/t14-,15-,17+,18+/m0/s1

InChI Key

BLWZANMIUKNLPT-CWLKWCNXSA-N

MDL Number (MFCD)

MFCD10089035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.63

Polar Surface Area

60.794

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.70

D470-1864 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1864?
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What is the minimum amount of D470-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1864
  • 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 D470-1864 available by request