V030-2593 Screening compound: N~1~-(4-butyl-3-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-fluorobenzamide

V030-2593 Screening compound: N~1~-(4-butyl-3-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-fluorobenzamide
V030-2593 Screening compound: N~1~-(4-butyl-3-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2593
N~1~-(4-butyl-3-ethyl-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

V030-2593

Molecular Formula

C20H22FN3O3S (C20 H22 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(CC)=N1)c(ccc(NC(c2cc(F)ccc2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C20H22FN3O3S/c1-3-5-11-24-17-10-9-16(13-18(17)28(26,27)23-19(24)4-2)22-20(25)14-7-6-8-15(21)12-14/h6-10,12-13H,3-5,11H2,1-2H3,(H,22,25)

InChI Key

OOKGSZPKWWCGPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499671

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.48

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

4.100

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.03

Polar Surface Area

66.761

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V030-2593 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-2593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2593?
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What is the minimum amount of V030-2593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2593
  • 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 V030-2593 available by request