1325-0113 Screening compound: 2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate

1325-0113 Screening compound: 2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate
1325-0113 Screening compound: 2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1325-0113
2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate

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

1325-0113

Molecular Formula

C17H17NO5S (C17 H17 NO5 S)

Compound Name

2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate

IUPAC name

2-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate

SMILES

CC(N(c(cccc1)c1OC(C)=O)S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C17H17NO5S/c1-12-8-10-15(11-9-12)24(21,22)18(13(2)19)16-6-4-5-7-17(16)23-14(3)20/h4-11H,1-3H3

InChI Key

HYRHGRFQWVPUFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.73

Polar Surface Area

66.822

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-13.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1325-0113 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1325-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1325-0113?
Check Price and Availability of 1325-0113, 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 1325-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1325-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1325-0113
  • 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 1325-0113 available by request