L516-0037 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

L516-0037 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
L516-0037 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L516-0037
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

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

L516-0037

Molecular Formula

C16H17N5O3S3 (C16 H17 N5 O3 S3)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[(13-thiazol-4-yl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)NCc1cscn1

InChI

InChI=1S/C16H17N5O3S3/c22-16(17-8-12-9-25-10-18-12)11-4-6-21(7-5-11)27(23,24)14-3-1-2-13-15(14)20-26-19-13/h1-3,9-11H,4-8H2,(H,17,22)

InChI Key

VNTOWQVLLOOBLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

1.585

Water Solubility, LogSw

-2.37

Polar Surface Area

87.439

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L516-0037 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L516-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L516-0037?
Check Price and Availability of L516-0037, 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 L516-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L516-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L516-0037
  • 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 L516-0037 available by request