S213-1835 Screening compound: 3-bromo-N-methyl-N-[(oxolan-3-yl)methyl]benzamide

S213-1835 Screening compound: 3-bromo-N-methyl-N-[(oxolan-3-yl)methyl]benzamide
S213-1835 Screening compound: 3-bromo-N-methyl-N-[(oxolan-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1835
3-bromo-N-methyl-N-[(oxolan-3-yl)methyl]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

S213-1835

Molecular Formula

C13H16BrNO2 (C13 H16 BrNO2)

Compound Name

3-bromo-N-methyl-N-[(oxolan-3-yl)methyl]benzamide

IUPAC name

n/a

SMILES

CN(CC1COCC1)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C13H16BrNO2/c1-15(8-10-5-6-17-9-10)13(16)11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m1/s1

InChI Key

IOHBMCOAVQYNPQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30462401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.61

Polar Surface Area

25.354

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

S213-1835 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S213-1835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1835?
Check Price and Availability of S213-1835, 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 S213-1835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1835
  • 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 S213-1835 available by request