V030-4503 Screening compound: N~1~-[4-(4-fluorophenyl)-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide

V030-4503 Screening compound: N~1~-[4-(4-fluorophenyl)-3-(2-furyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methoxybenzamide
V030-4503 Screening compound: N~1~-[4-(4-fluorophenyl)-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 V030-4503
N~1~-[4-(4-fluorophenyl)-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

V030-4503

Molecular Formula

C25H18FN3O5S (C25 H18 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc(cc1)cc2c1N(c(cc1)ccc1F)C(c1ccco1)=NS2(=O)=O)=O

InChI

InChI=1S/C25H18FN3O5S/c1-33-20-11-4-16(5-12-20)25(30)27-18-8-13-21-23(15-18)35(31,32)28-24(22-3-2-14-34-22)29(21)19-9-6-17(26)7-10-19/h2-15H,1H3,(H,27,30)

InChI Key

YJLPJYRVQLJBIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499747

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.16

Polar Surface Area

81.894

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

V030-4503 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V030-4503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4503?
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What is the minimum amount of V030-4503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4503
  • 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 V030-4503 available by request