V030-5938 Screening compound: N~1~-[3-ethyl-4-(4-fluorophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide

V030-5938 Screening compound: N~1~-[3-ethyl-4-(4-fluorophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide
V030-5938 Screening compound: N~1~-[3-ethyl-4-(4-fluorophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5938
N~1~-[3-ethyl-4-(4-fluorophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]-4-methyl-3-(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

V030-5938

Molecular Formula

C24H19F4N3O3S (C24 H19 F4 N3 O3 S)

Compound Name

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

IUPAC name

N-[3-ethyl-4-(4-fluorophenyl)-11-dioxo-4H-1lambda624-benzothiadiazin-7-yl]-4-methyl-3-(trifluoromethyl)benzamide

SMILES

CCC(N(c(cc1)ccc1F)c(cc1)c2cc1NC(c1cc(C(F)(F)F)c(C)cc1)=O)=NS2(=O)=O

InChI

InChI=1S/C24H19F4N3O3S/c1-3-22-30-35(33,34)21-13-17(8-11-20(21)31(22)18-9-6-16(25)7-10-18)29-23(32)15-5-4-14(2)19(12-15)24(26,27)28/h4-13H,3H2,1-2H3,(H,29,32)

InChI Key

ZFTQSDVDYPQOCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499768

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.49

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

5.010

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-4.60

Polar Surface Area

65.899

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V030-5938 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V030-5938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5938?
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What is the minimum amount of V030-5938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5938
  • 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 V030-5938 available by request