F475-0029 Screening compound: 4-[2-(3-chlorobenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopropylbenzamide

F475-0029 Screening compound: 4-[2-(3-chlorobenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopropylbenzamide
F475-0029 Screening compound: 4-[2-(3-chlorobenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0029
4-[2-(3-chlorobenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopropylbenzamide

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

F475-0029

Molecular Formula

C24H24ClN3O3S (C24 H24 ClN3 O3 S)

Compound Name

4-[2-(3-chlorobenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopropylbenzamide

IUPAC name

4-{2-[(3-chlorophenyl)methyl]-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl}-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(C(Nc2c3cccc2)N(Cc2cccc(Cl)c2)S3(=O)=O)cc1)=O

InChI

InChI=1S/C24H24ClN3O3S/c1-16(2)26-24(29)19-12-10-18(11-13-19)23-27-21-8-3-4-9-22(21)32(30,31)28(23)15-17-6-5-7-20(25)14-17/h3-14,16,23,27H,15H2,1-2H3,(H,26,29)/t23-/m0/s1

InChI Key

GJSXFJMZJNZTRK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14955833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.67

Polar Surface Area

66.694

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

F475-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F475-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0029?
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What is the minimum amount of F475-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0029
  • 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 F475-0029 available by request