4478-7203 Screening compound: methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}propanoate

4478-7203 Screening compound: methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}propanoate
4478-7203 Screening compound: methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7203
methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}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

4478-7203

Molecular Formula

C17H24N2O5S (C17 H24 N2 O5 S)

Compound Name

methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}propanoate

IUPAC name

methyl 3-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}propanoate

SMILES

COC(CCC(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C17H24N2O5S/c1-24-17(21)11-10-16(20)18-14-6-8-15(9-7-14)25(22,23)19-12-4-2-3-5-13-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)

InChI Key

QPYUXPFHBOENOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.45

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

1.944

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-2.77

Polar Surface Area

76.009

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

4478-7203 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with 4478-7203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7203?
Check Price and Availability of 4478-7203, 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 4478-7203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7203
  • 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 4478-7203 available by request