S425-0333 Screening compound: methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate

S425-0333 Screening compound: methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate
S425-0333 Screening compound: methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S425-0333
methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate

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

S425-0333

Molecular Formula

C18H26N2O5 (C18 H26 N2 O5)

Compound Name

methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate

IUPAC name

methyl 4-{[4-(2-ethoxyethoxy)piperidine-1-carbonyl]amino}benzoate

SMILES

CCOCCOC(CC1)CCN1C(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C18H26N2O5/c1-3-24-12-13-25-16-8-10-20(11-9-16)18(22)19-15-6-4-14(5-7-15)17(21)23-2/h4-7,16H,3,8-13H2,1-2H3,(H,19,22)

InChI Key

SGTDMHLFZFEJFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.044

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.55

Polar Surface Area

61.790

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S425-0333 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S425-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S425-0333?
Check Price and Availability of S425-0333, 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 S425-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S425-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S425-0333
  • 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 S425-0333 available by request