6064-0133 Screening compound: ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate

6064-0133 Screening compound: ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate
6064-0133 Screening compound: ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6064-0133
ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate

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

6064-0133

Molecular Formula

C19H28N2O6S (C19 H28 N2 O6 S)

Compound Name

ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{4-[(propan-2-yl)sulfamoyl]phenoxy}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(COc(cc1)ccc1S(NC(C)C)(=O)=O)=O)=O

InChI

InChI=1S/C19H28N2O6S/c1-4-26-19(23)15-9-11-21(12-10-15)18(22)13-27-16-5-7-17(8-6-16)28(24,25)20-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3

InChI Key

PGHJUPCPUCBGBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.65

Polar Surface Area

85.830

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

6064-0133 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6064-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6064-0133?
Check Price and Availability of 6064-0133, 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 6064-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6064-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6064-0133
  • 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 6064-0133 available by request