6113-2787 Screening compound: N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

6113-2787 Screening compound: N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
6113-2787 Screening compound: N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6113-2787
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

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

6113-2787

Molecular Formula

C16H17NO5S (C16 H17 NO5 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

COc1c(CNS(c(cc2)cc3c2OCCO3)(=O)=O)cccc1

InChI

InChI=1S/C16H17NO5S/c1-20-14-5-3-2-4-12(14)11-17-23(18,19)13-6-7-15-16(10-13)22-9-8-21-15/h2-7,10,17H,8-9,11H2,1H3

InChI Key

HWVNZIQSHAIFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.55

Polar Surface Area

65.450

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6113-2787 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6113-2787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6113-2787?
Check Price and Availability of 6113-2787, 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 6113-2787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6113-2787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6113-2787
  • 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 6113-2787 available by request