V030-3748 Screening compound: N~1~-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide

V030-3748 Screening compound: N~1~-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide
V030-3748 Screening compound: N~1~-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3748
N~1~-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide

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

V030-3748

Molecular Formula

C25H24FN3O3S (C25 H24 FN3 O3 S)

Compound Name

N~1~-[4-butyl-3-(3-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-3-fluorobenzamide

IUPAC name

N-[4-butyl-3-(3-methylphenyl)-11-dioxo-4H-1lambda624-benzothiadiazin-7-yl]-3-fluorobenzamide

SMILES

CCCCN(c(cc1)c2cc1NC(c1cc(F)ccc1)=O)C(c1cc(C)ccc1)=NS2(=O)=O

InChI

InChI=1S/C25H24FN3O3S/c1-3-4-13-29-22-12-11-21(27-25(30)19-9-6-10-20(26)15-19)16-23(22)33(31,32)28-24(29)18-8-5-7-17(2)14-18/h5-12,14-16H,3-4,13H2,1-2H3,(H,27,30)

InChI Key

NKLIEJJACTZDMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499893

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.28

Polar Surface Area

66.633

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V030-3748 in Drug Discovery

Included in Screening Libraries

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 V030-3748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3748?
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What is the minimum amount of V030-3748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3748
  • 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 V030-3748 available by request