G025-0174 Screening compound: N~1~-cycloheptyl-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

G025-0174 Screening compound: N~1~-cycloheptyl-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
G025-0174 Screening compound: N~1~-cycloheptyl-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0174
N~1~-cycloheptyl-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

G025-0174

Molecular Formula

C17H24N2O3S (C17 H24 N2 O3 S)

Compound Name

N~1~-cycloheptyl-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-cycloheptyl-3-(11-dioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

O=C(c1cccc(N(CCC2)S2(=O)=O)c1)NC1CCCCCC1

InChI

InChI=1S/C17H24N2O3S/c20-17(18-15-8-3-1-2-4-9-15)14-7-5-10-16(13-14)19-11-6-12-23(19,21)22/h5,7,10,13,15H,1-4,6,8-9,11-12H2,(H,18,20)

InChI Key

KYDLWKBLBGDGIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.571

Water Solubility, LogSw

-2.98

Polar Surface Area

56.744

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

G025-0174 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0174?
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What is the minimum amount of G025-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0174
  • 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 G025-0174 available by request