V025-9452 Screening compound: N~1~-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide

V025-9452 Screening compound: N~1~-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
V025-9452 Screening compound: N~1~-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9452
N~1~-(4-butyl-3-cyclopentyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide

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

V025-9452

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

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

IUPAC name

N-(4-butyl-3-cyclopentyl-11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)-3-nitrobenzamide

SMILES

CCCCN(C(C1CCCC1)=N1)c(ccc(NC(c2cc([N+]([O-])=O)ccc2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C23H26N4O5S/c1-2-3-13-26-20-12-11-18(24-23(28)17-9-6-10-19(14-17)27(29)30)15-21(20)33(31,32)25-22(26)16-7-4-5-8-16/h6,9-12,14-16H,2-5,7-8,13H2,1H3,(H,24,28)

InChI Key

MHHGAKUQYWQLEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499726

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.84

Polar Surface Area

100.573

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V025-9452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9452?
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What is the minimum amount of V025-9452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9452
  • 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 V025-9452 available by request