C548-3130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-carboxamide

C548-3130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-carboxamide
C548-3130 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3130
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-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

C548-3130

Molecular Formula

C18H24N4O3S2 (C18 H24 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-cycloheptylpyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1S(c1cccc2nsnc12)(=O)=O)NC1CCCCCC1

InChI

InChI=1S/C18H24N4O3S2/c23-18(19-13-7-3-1-2-4-8-13)15-10-6-12-22(15)27(24,25)16-11-5-9-14-17(16)21-26-20-14/h5,9,11,13,15H,1-4,6-8,10,12H2,(H,19,23)/t15-/m0/s1

InChI Key

KQNAXMAPOKNPNC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14769509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.43

Polar Surface Area

78.209

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

C548-3130 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C548-3130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3130?
Check Price and Availability of C548-3130, 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 C548-3130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3130
  • 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 C548-3130 available by request