V030-4531 Screening compound: N~1~-[3-(3-furyl)-4-isobutyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide

V030-4531 Screening compound: N~1~-[3-(3-furyl)-4-isobutyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide
V030-4531 Screening compound: N~1~-[3-(3-furyl)-4-isobutyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4531
N~1~-[3-(3-furyl)-4-isobutyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-2-methylpropanamide

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

V030-4531

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(c(cc1)c2cc1NC(C(C)C)=O)C(c1cocc1)=NS2(=O)=O

InChI

InChI=1S/C19H23N3O4S/c1-12(2)10-22-16-6-5-15(20-19(23)13(3)4)9-17(16)27(24,25)21-18(22)14-7-8-26-11-14/h5-9,11-13H,10H2,1-4H3,(H,20,23)

InChI Key

MZFHKMGGZFGWAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.88

Polar Surface Area

74.730

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

V030-4531 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4531?
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What is the minimum amount of V030-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4531
  • 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 V030-4531 available by request