C548-3150 Screening compound: ethyl 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate

C548-3150 Screening compound: ethyl 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
C548-3150 Screening compound: ethyl 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3150
ethyl 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate

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

C548-3150

Molecular Formula

C18H23N5O5S2 (C18 H23 N5 O5 S2)

Compound Name

ethyl 4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[1-(213-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)=O)=O

InChI

InChI=1S/C18H23N5O5S2/c1-2-28-18(25)22-11-9-21(10-12-22)17(24)14-6-4-8-23(14)30(26,27)15-7-3-5-13-16(15)20-29-19-13/h3,5,7,14H,2,4,6,8-12H2,1H3/t14-/m0/s1

InChI Key

SQQQUXTVBGSMTF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14769522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.423

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-2.30

Polar Surface Area

93.167

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C548-3150 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C548-3150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3150?
Check Price and Availability of C548-3150, 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 C548-3150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3150
  • 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 C548-3150 available by request