V004-0663 Screening compound: N~1~-[4-butyl-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide

V004-0663 Screening compound: N~1~-[4-butyl-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide
V004-0663 Screening compound: N~1~-[4-butyl-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0663
N~1~-[4-butyl-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide

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

V004-0663

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

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

IUPAC name

N-[4-butyl-3-(furan-2-yl)-11-dioxo-4H-1lambda624-benzothiadiazin-7-yl]-4-methoxybenzamide

SMILES

CCCCN(c(cc1)c2cc1NC(c(cc1)ccc1OC)=O)C(c1ccco1)=NS2(=O)=O

InChI

InChI=1S/C23H23N3O5S/c1-3-4-13-26-19-12-9-17(24-23(27)16-7-10-18(30-2)11-8-16)15-21(19)32(28,29)25-22(26)20-6-5-14-31-20/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,27)

InChI Key

ZCJYJPWGNDWUIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.08

Polar Surface Area

82.755

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V004-0663 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0663?
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What is the minimum amount of V004-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0663
  • 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 V004-0663 available by request