V030-4525 Screening compound: N~2~-[3-(2-fluorophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide

V030-4525 Screening compound: N~2~-[3-(2-fluorophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide
V030-4525 Screening compound: N~2~-[3-(2-fluorophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4525
N~2~-[3-(2-fluorophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-thiophenecarboxamide

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

V030-4525

Molecular Formula

C21H18FN3O3S2 (C21 H18 FN3 O3 S2)

Compound Name

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

IUPAC name

N-[3-(2-fluorophenyl)-11-dioxo-4-propyl-4H-1lambda624-benzothiadiazin-7-yl]thiophene-2-carboxamide

SMILES

CCCN(c(cc1)c2cc1NC(c1cccs1)=O)C(c(cccc1)c1F)=NS2(=O)=O

InChI

InChI=1S/C21H18FN3O3S2/c1-2-11-25-17-10-9-14(23-21(26)18-8-5-12-29-18)13-19(17)30(27,28)24-20(25)15-6-3-4-7-16(15)22/h3-10,12-13H,2,11H2,1H3,(H,23,26)

InChI Key

KNGWHZKXPRINBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499954

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.21

Polar Surface Area

67.652

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V030-4525 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V030-4525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4525?
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What is the minimum amount of V030-4525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4525
  • 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 V030-4525 available by request