0180-0377 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carboxylic acid

0180-0377 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carboxylic acid
0180-0377 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0377
1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-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

0180-0377

Molecular Formula

C11H11N3O4S2 (C11 H11 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

OC(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C11H11N3O4S2/c15-11(16)8-4-2-6-14(8)20(17,18)9-5-1-3-7-10(9)13-19-12-7/h1,3,5,8H,2,4,6H2,(H,15,16)/t8-/m0/s1

InChI Key

ZCYFHIOHNFQBFX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00658796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

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

0.641

Distribution Coefficient, logD

-3.091

Water Solubility, LogSw

-1.93

Polar Surface Area

82.147

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

0180-0377 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Structure:
  • Pool
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0180-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0377?
Check Price and Availability of 0180-0377, 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 0180-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0377
  • 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 0180-0377 available by request