S213-1257 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

S213-1257 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
S213-1257 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1257
N-[(oxolan-3-yl)methyl]-N-propyl-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

S213-1257

Molecular Formula

C16H23NO5S (C16 H23 NO5 S)

Compound Name

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

IUPAC name

N-[(oxolan-3-yl)methyl]-N-propyl-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

CCCN(CC1COCC1)S(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C16H23NO5S/c1-2-6-17(11-13-5-7-20-12-13)23(18,19)14-3-4-15-16(10-14)22-9-8-21-15/h3-4,10,13H,2,5-9,11-12H2,1H3/t13-/m1/s1

InChI Key

SMBAKSNZYRNFAN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29003254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.55

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S213-1257 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1257?
Check Price and Availability of S213-1257, 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 S213-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1257
  • 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 S213-1257 available by request