K261-1005 Screening compound: 2-(4-methylphenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1005 Screening compound: 2-(4-methylphenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1005 Screening compound: 2-(4-methylphenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1005
2-(4-methylphenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

K261-1005

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

2-(4-methylphenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(4-methylphenyl)-4-[(3-nitrophenyl)methyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc(cc1)ccc1N(C(N(Cc1cc([N+]([O-])=O)ccc1)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C21H17N3O5S/c1-15-9-11-17(12-10-15)23-21(25)22(14-16-5-4-6-18(13-16)24(26)27)19-7-2-3-8-20(19)30(23,28)29/h2-13H,14H2,1H3

InChI Key

GVCWYUTVELYEMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.40

Polar Surface Area

80.124

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-12.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K261-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1005?
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What is the minimum amount of K261-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1005
  • 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 K261-1005 available by request