K893-0754 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic acid

K893-0754 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic acid
K893-0754 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K893-0754
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic 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

K893-0754

Molecular Formula

C12H13N3O4S2 (C12 H13 N3 O4 S2)

Compound Name

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic acid

IUPAC name

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

SMILES

OC(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C12H13N3O4S2/c16-12(17)8-4-6-15(7-5-8)21(18,19)10-3-1-2-9-11(10)14-20-13-9/h1-3,8H,4-7H2,(H,16,17)

InChI Key

NNOFFXJMRVMQBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287965

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

0.841

Distribution Coefficient, logD

-1.719

Water Solubility, LogSw

-1.92

Polar Surface Area

81.310

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

K893-0754 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K893-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K893-0754?
Check Price and Availability of K893-0754, 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 K893-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K893-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K893-0754
  • 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 K893-0754 available by request