8014-9829 Screening compound: 4-benzenesulfonamido-3-phenylbutanoic acid

8014-9829 Screening compound: 4-benzenesulfonamido-3-phenylbutanoic acid
8014-9829 Screening compound: 4-benzenesulfonamido-3-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9829
4-benzenesulfonamido-3-phenylbutanoic acid

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

8014-9829

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

4-benzenesulfonamido-3-phenylbutanoic acid

IUPAC name

4-benzenesulfonamido-3-phenylbutanoic acid

SMILES

OC(CC(CNS(c1ccccc1)(=O)=O)c1ccccc1)=O

InChI

InChI=1S/C16H17NO4S/c18-16(19)11-14(13-7-3-1-4-8-13)12-17-22(20,21)15-9-5-2-6-10-15/h1-10,14,17H,11-12H2,(H,18,19)/t14-/m0/s1

InChI Key

HDRGUIIOXMIEPF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03821420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

-0.663

Water Solubility, LogSw

-2.76

Polar Surface Area

70.381

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

8014-9829 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 8014-9829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9829?
Check Price and Availability of 8014-9829, 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 8014-9829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9829
  • 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 8014-9829 available by request