8013-0653 Screening compound: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide

8013-0653 Screening compound: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide
8013-0653 Screening compound: N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0653
N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide

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

8013-0653

Molecular Formula

C24H25NO5S (C24 H25 NO5 S)

Compound Name

N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide

IUPAC name

N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-4-methoxybenzamide

SMILES

CC(C)c(c(S(c1ccccc1)(=O)=O)c(c(C)c1)O)c1NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C24H25NO5S/c1-15(2)21-20(25-24(27)17-10-12-18(30-4)13-11-17)14-16(3)22(26)23(21)31(28,29)19-8-6-5-7-9-19/h5-15,26H,1-4H3,(H,25,27)

InChI Key

YGGICVTUAGJLMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.25

Polar Surface Area

75.156

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8013-0653 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8013-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0653?
Check Price and Availability of 8013-0653, 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 8013-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0653
  • 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 8013-0653 available by request