S213-1300 Screening compound: 4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-sulfonamide

S213-1300 Screening compound: 4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-sulfonamide
S213-1300 Screening compound: 4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1300
4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-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

S213-1300

Molecular Formula

C14H20BrNO3S (C14 H20 BrNO3 S)

Compound Name

4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-sulfonamide

IUPAC name

4-bromo-N-[(oxolan-3-yl)methyl]-N-propylbenzene-1-sulfonamide

SMILES

CCCN(CC1COCC1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C14H20BrNO3S/c1-2-8-16(10-12-7-9-19-11-12)20(17,18)14-5-3-13(15)4-6-14/h3-6,12H,2,7-11H2,1H3/t12-/m1/s1

InChI Key

YGKCESWEEGSEJI-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29003279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.71

Polar Surface Area

40.557

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S213-1300 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S213-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1300?
Check Price and Availability of S213-1300, 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 S213-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1300
  • 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 S213-1300 available by request