C085-1350 Screening compound: 4-(AZEPANE-1-SULFONYL)-2,1,3-BENZOTHIADIAZOLE

C085-1350 Screening compound: 4-(AZEPANE-1-SULFONYL)-2,1,3-BENZOTHIADIAZOLE
C085-1350 Screening compound: 4-(AZEPANE-1-SULFONYL)-2,1,3-BENZOTHIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1350
4-(AZEPANE-1-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

C085-1350

Molecular Formula

C12H15N3O2S2 (C12 H15 N3 O2 S2)

Compound Name

4-(AZEPANE-1-SULFONYL)-2,1,3-BENZOTHIADIAZOLE

IUPAC name

n/a

SMILES

O=S(c1cccc2nsnc12)(N1CCCCCC1)=O

InChI

InChI=1S/C12H15N3O2S2/c16-19(17,15-8-3-1-2-4-9-15)11-7-5-6-10-12(11)14-18-13-10/h5-7H,1-4,8-9H2

InChI Key

UBTGQHASNDEMGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03944876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-2.95

Polar Surface Area

53.233

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C085-1350 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C085-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1350?
Check Price and Availability of C085-1350, 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 C085-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1350
  • 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 C085-1350 available by request