D216-0631 Screening compound: ethyl 2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate

D216-0631 Screening compound: ethyl 2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate
D216-0631 Screening compound: ethyl 2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0631
ethyl 2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate

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

D216-0631

Molecular Formula

C18H26N2O5S (C18 H26 N2 O5 S)

Compound Name

ethyl 2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate

IUPAC name

ethyl (2R)-2-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]formamido}propanoate

SMILES

CCOC([C@@H](C)NC(C(CC1)CCN1S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C18H26N2O5S/c1-4-25-18(22)14(3)19-17(21)15-9-11-20(12-10-15)26(23,24)16-7-5-13(2)6-8-16/h5-8,14-15H,4,9-12H2,1-3H3,(H,19,21)/t14-/m1/s1

InChI Key

FFZRTQHSLRFGKI-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.71

Polar Surface Area

76.551

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

D216-0631 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D216-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0631?
Check Price and Availability of D216-0631, 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 D216-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0631
  • 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 D216-0631 available by request