D470-1866 Screening compound: ethyl 1-{(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxylate

D470-1866 Screening compound: ethyl 1-{(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxylate
D470-1866 Screening compound: ethyl 1-{(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1866
ethyl 1-{(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxylate

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

D470-1866

Molecular Formula

C19H27NO6S2 (C19 H27 NO6 S2)

Compound Name

ethyl 1-{(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-[(3S4R)-4-(4-methylbenzenesulfonyl)-11-dioxo-1lambda6-thiolan-3-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1[C@@H](CS(C1)(=O)=O)[C@H]1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C19H27NO6S2/c1-3-26-19(21)15-8-10-20(11-9-15)17-12-27(22,23)13-18(17)28(24,25)16-6-4-14(2)5-7-16/h4-7,15,17-18H,3,8-13H2,1-2H3/t17-,18-/m1/s1

InChI Key

AKFHZNGFJUPSQM-QZTJIDSGSA-N

MDL Number (MFCD)

MFCD10089036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.382

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-2.33

Polar Surface Area

81.681

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

D470-1866 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 D470-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1866?
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What is the minimum amount of D470-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1866
  • 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 D470-1866 available by request