4695-2683 Screening compound: 1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate

4695-2683 Screening compound: 1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate
4695-2683 Screening compound: 1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-2683
1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate

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

4695-2683

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate

IUPAC name

1-oxo-1-phenylbutan-2-yl 2-benzenesulfonamidoacetate

SMILES

CCC(C(c1ccccc1)=O)OC(CNS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C18H19NO5S/c1-2-16(18(21)14-9-5-3-6-10-14)24-17(20)13-19-25(22,23)15-11-7-4-8-12-15/h3-12,16,19H,2,13H2,1H3/t16-/m0/s1

InChI Key

BPQWDWPCJWSTJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02376112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.20

Polar Surface Area

75.443

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-6.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4695-2683 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4695-2683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-2683?
Check Price and Availability of 4695-2683, 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 4695-2683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-2683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-2683
  • 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 4695-2683 available by request