S633-7519 Screening compound: 4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

S633-7519 Screening compound: 4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
S633-7519 Screening compound: 4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-7519
4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

S633-7519

Molecular Formula

C19H22N6O3S2 (C19 H22 N6 O3 S2)

Compound Name

4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(3-{5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-124-oxadiazol-3-yl}azetidin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N(C1)CC1c1noc(C2N(CC3CC3)CCC2)n1)=O

InChI

InChI=1S/C19H22N6O3S2/c26-30(27,16-5-1-3-14-17(16)23-29-22-14)25-10-13(11-25)18-20-19(28-21-18)15-4-2-8-24(15)9-12-6-7-12/h1,3,5,12-13,15H,2,4,6-11H2/t15-/m0/s1

InChI Key

RNJMVSBSLZQRDC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31962417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

-0.261

Water Solubility, LogSw

-3.09

Polar Surface Area

88.987

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S633-7519 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S633-7519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-7519?
Check Price and Availability of S633-7519, 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 S633-7519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-7519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-7519
  • 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 S633-7519 available by request