V030-4513 Screening compound: N~1~-[3-(3-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopentanecarboxamide

V030-4513 Screening compound: N~1~-[3-(3-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopentanecarboxamide
V030-4513 Screening compound: N~1~-[3-(3-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4513
N~1~-[3-(3-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopentanecarboxamide

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

V030-4513

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

N~1~-[3-(3-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-1-cyclopentanecarboxamide

IUPAC name

N-[3-(furan-3-yl)-11-dioxo-4-phenyl-4H-1lambda624-benzothiadiazin-7-yl]cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)Nc(cc1)cc2c1N(c1ccccc1)C(c1cocc1)=NS2(=O)=O

InChI

InChI=1S/C23H21N3O4S/c27-23(16-6-4-5-7-16)24-18-10-11-20-21(14-18)31(28,29)25-22(17-12-13-30-15-17)26(20)19-8-2-1-3-9-19/h1-3,8-16H,4-7H2,(H,24,27)

InChI Key

QEPRCJWUAGPDKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499916

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-3.98

Polar Surface Area

74.133

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V030-4513 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4513?
Check Price and Availability of V030-4513, 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 V030-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4513
  • 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 V030-4513 available by request