8014-9830 Screening compound: 2-oxo-2-phenylethyl 3-phenyl-4-[(phenylsulfonyl)amino]butanoate

8014-9830 Screening compound: 2-oxo-2-phenylethyl 3-phenyl-4-[(phenylsulfonyl)amino]butanoate
8014-9830 Screening compound: 2-oxo-2-phenylethyl 3-phenyl-4-[(phenylsulfonyl)amino]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9830
2-oxo-2-phenylethyl 3-phenyl-4-[(phenylsulfonyl)amino]butanoate

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

8014-9830

Molecular Formula

C24H23NO5S (C24 H23 NO5 S)

Compound Name

2-oxo-2-phenylethyl 3-phenyl-4-[(phenylsulfonyl)amino]butanoate

IUPAC name

2-oxo-2-phenylethyl 4-benzenesulfonamido-3-phenylbutanoate

SMILES

O=C(COC(CC(CNS(c1ccccc1)(=O)=O)c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C24H23NO5S/c26-23(20-12-6-2-7-13-20)18-30-24(27)16-21(19-10-4-1-5-11-19)17-25-31(28,29)22-14-8-3-9-15-22/h1-15,21,25H,16-18H2/t21-/m0/s1

InChI Key

JCWHCTLMSYXTAF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03821421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.29

Polar Surface Area

75.506

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8014-9830 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9830?
Check Price and Availability of 8014-9830, 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 8014-9830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9830
  • 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 8014-9830 available by request