V030-4544 Screening compound: N~2~-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-furamide

V030-4544 Screening compound: N~2~-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-furamide
V030-4544 Screening compound: N~2~-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4544
N~2~-[3-(4-methoxyphenyl)-1,1-dioxo-4-propyl-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

V030-4544

Molecular Formula

C22H21N3O5S (C22 H21 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-3-12-25-18-11-8-16(23-22(26)19-5-4-13-30-19)14-20(18)31(27,28)24-21(25)15-6-9-17(29-2)10-7-15/h4-11,13-14H,3,12H2,1-2H3,(H,23,26)

InChI Key

PKWCBWSZQYWXNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499694

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.05

Polar Surface Area

82.755

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V030-4544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4544?
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What is the minimum amount of V030-4544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4544
  • 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 V030-4544 available by request