C155-0481 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid

C155-0481 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid
C155-0481 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0481
1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid

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

C155-0481

Molecular Formula

C12H13N3O4S2 (C12 H13 N3 O4 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)piperidine-2-carboxylic acid

SMILES

OC(C(CCCC1)N1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C12H13N3O4S2/c16-12(17)9-5-1-2-7-15(9)21(18,19)10-6-3-4-8-11(10)14-20-13-8/h3-4,6,9H,1-2,5,7H2,(H,16,17)/t9-/m0/s1

InChI Key

FLJHGZDAZQSIIU-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03298669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

-2.523

Water Solubility, LogSw

-2.09

Polar Surface Area

81.781

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C155-0481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C155-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0481?
Check Price and Availability of C155-0481, 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 C155-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0481
  • 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 C155-0481 available by request