V030-3747 Screening compound: N~1~-[3-(2-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

V030-3747 Screening compound: N~1~-[3-(2-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide
V030-3747 Screening compound: N~1~-[3-(2-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3747
N~1~-[3-(2-furyl)-1,1-dioxo-4-phenyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

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

V030-3747

Molecular Formula

C25H16F3N3O4S (C25 H16 F3 N3 O4 S)

Compound Name

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

IUPAC name

N-[3-(furan-2-yl)-11-dioxo-4-phenyl-4H-1lambda624-benzothiadiazin-7-yl]-4-(trifluoromethyl)benzamide

SMILES

O=C(c1ccc(C(F)(F)F)cc1)Nc(cc1)cc2c1N(c1ccccc1)C(c1ccco1)=NS2(=O)=O

InChI

InChI=1S/C25H16F3N3O4S/c26-25(27,28)17-10-8-16(9-11-17)24(32)29-18-12-13-20-22(15-18)36(33,34)30-23(21-7-4-14-35-21)31(20)19-5-2-1-3-6-19/h1-15H,(H,29,32)

InChI Key

LMMJIOWUQLTONK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499663

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.48

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

4.620

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.65

Polar Surface Area

74.350

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

V030-3747 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 V030-3747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3747?
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What is the minimum amount of V030-3747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3747
  • 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 V030-3747 available by request