D470-2036 Screening compound: 1-{(3S,4R)-4-[(4-methoxyphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide

D470-2036 Screening compound: 1-{(3S,4R)-4-[(4-methoxyphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide
D470-2036 Screening compound: 1-{(3S,4R)-4-[(4-methoxyphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2036
1-{(3S,4R)-4-[(4-methoxyphenyl)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

D470-2036

Molecular Formula

C17H24N2O6S2 (C17 H24 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCC1C(N)=O)(=O)=O

InChI

InChI=1S/C17H24N2O6S2/c1-25-13-2-4-14(5-3-13)27(23,24)16-11-26(21,22)10-15(16)19-8-6-12(7-9-19)17(18)20/h2-5,12,15-16H,6-11H2,1H3,(H2,18,20)/t15-,16-/m1/s1

InChI Key

KUCWNAHJYMPAOT-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10567738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.592

Distribution Coefficient, logD

-0.593

Water Solubility, LogSw

-1.87

Polar Surface Area

102.530

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

D470-2036 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D470-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2036?
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What is the minimum amount of D470-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2036
  • 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 D470-2036 available by request