S033-1319 Screening compound: N2-{(1R

S033-1319 Screening compound: N2-{(1R
S033-1319 Screening compound: N2-{(1R alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1319
N2-{(1R

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

S033-1319

Molecular Formula

C15H15ClN2O3S3 (C15 H15 ClN2 O3 S3)

Compound Name

N2-{(1R

IUPAC name

n/a

SMILES

O=C(c(s1)ccc1Cl)N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C15H15ClN2O3S3/c16-13-4-3-12(23-13)15(19)18-8-9-6-10(11(18)7-9)17-24(20,21)14-2-1-5-22-14/h1-5,9-11,17H,6-8H2/t9-,10+,11-/m0/s1

InChI Key

KGUMSDWGVJJCJT-AXFHLTTASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.67

Polar Surface Area

60.694

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

S033-1319 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S033-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1319?
Check Price and Availability of S033-1319, 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 S033-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1319
  • 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 S033-1319 available by request