V025-9435 Screening compound: N~1~-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide

V025-9435 Screening compound: N~1~-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide
V025-9435 Screening compound: N~1~-(4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9435
N~1~-(4-butyl-1,1-dioxo-3-propyl-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

V025-9435

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-3-5-12-24-18-11-10-16(14-19(18)31(29,30)23-20(24)7-4-2)22-21(26)15-8-6-9-17(13-15)25(27)28/h6,8-11,13-14H,3-5,7,12H2,1-2H3,(H,22,26)

InChI Key

GIUXPZQDMVBWAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499718

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.19

Polar Surface Area

100.142

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V025-9435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9435?
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What is the minimum amount of V025-9435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9435
  • 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 V025-9435 available by request