0783-0227 Screening compound: N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide

0783-0227 Screening compound: N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide
0783-0227 Screening compound: N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0783-0227
N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide

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

0783-0227

Molecular Formula

C17H19NO3S (C17 H19 NO3 S)

Compound Name

N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide

IUPAC name

N-[4-methyl-3-(propan-2-yl)benzenesulfonyl]benzamide

SMILES

CC(C)c1c(C)ccc(S(NC(c2ccccc2)=O)(=O)=O)c1

InChI

InChI=1S/C17H19NO3S/c1-12(2)16-11-15(10-9-13(16)3)22(20,21)18-17(19)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,19)

InChI Key

UUIPEQQKEJNSBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00724769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

-1.327

Water Solubility, LogSw

-3.76

Polar Surface Area

55.067

Acid Dissociation Constant (pKa)

2.49

Base Dissociation Constant (pKb)

-15.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0783-0227 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0783-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0783-0227?
Check Price and Availability of 0783-0227, 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 0783-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0783-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0783-0227
  • 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 0783-0227 available by request