G682-0170 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-cyclohexylacetamide

G682-0170 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-cyclohexylacetamide
G682-0170 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G682-0170
2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-cyclohexylacetamide

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

G682-0170

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-cyclohexylacetamide

IUPAC name

2-(6-chloro-11-dioxo-4-phenyl-2H-1lambda623-benzothiadiazin-2-yl)-N-cyclohexylacetamide

SMILES

O=C(CN(N=C(c1ccccc1)c1c2ccc(Cl)c1)S2(=O)=O)NC1CCCCC1

InChI

InChI=1S/C21H22ClN3O3S/c22-16-11-12-19-18(13-16)21(15-7-3-1-4-8-15)24-25(29(19,27)28)14-20(26)23-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,23,26)

InChI Key

ICEFJHXCODBXCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.68

Polar Surface Area

64.900

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G682-0170 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G682-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G682-0170?
Check Price and Availability of G682-0170, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G682-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G682-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G682-0170
  • 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 G682-0170 available by request