D470-2127 Screening compound: 1-{(3S,4R)-4-[(4-fluoro-3-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide

D470-2127 Screening compound: 1-{(3S,4R)-4-[(4-fluoro-3-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide
D470-2127 Screening compound: 1-{(3S,4R)-4-[(4-fluoro-3-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2127
1-{(3S,4R)-4-[(4-fluoro-3-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide

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

D470-2127

Molecular Formula

C17H23FN2O5S2 (C17 H23 FN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)S([C@@H](CS(C2)(=O)=O)[C@H]2N(CC2)CCC2C(N)=O)(=O)=O)c1F

InChI

InChI=1S/C17H23FN2O5S2/c1-11-8-13(2-3-14(11)18)27(24,25)16-10-26(22,23)9-15(16)20-6-4-12(5-7-20)17(19)21/h2-3,8,12,15-16H,4-7,9-10H2,1H3,(H2,19,21)/t15-,16-/m1/s1

InChI Key

CFFMDJKNOLHNQE-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10567740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.184

Distribution Coefficient, logD

-0.184

Water Solubility, LogSw

-1.99

Polar Surface Area

94.986

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with D470-2127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2127?
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What is the minimum amount of D470-2127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2127
  • 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 D470-2127 available by request