V030-3479 Screening compound: N~2~-(3-cyclopentyl-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-2-furamide

V030-3479 Screening compound: N~2~-(3-cyclopentyl-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-2-furamide
V030-3479 Screening compound: N~2~-(3-cyclopentyl-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3479
N~2~-(3-cyclopentyl-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-2-furamide

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

V030-3479

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

N~2~-(3-cyclopentyl-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-2-furamide

IUPAC name

N-(3-cyclopentyl-11-dioxo-4-phenyl-4H-1lambda624-benzothiadiazin-7-yl)furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc(cc1)cc(S(N=C2C3CCCC3)(=O)=O)c1N2c1ccccc1

InChI

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

InChI Key

LUEZKZWIYXVCJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499906

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

3.965

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.12

Polar Surface Area

74.908

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

V030-3479 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 V030-3479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3479?
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What is the minimum amount of V030-3479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3479
  • 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 V030-3479 available by request