G207-0113 Screening compound: N~4~-[2-(1-azepanyl)ethyl]-1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

G207-0113 Screening compound: N~4~-[2-(1-azepanyl)ethyl]-1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide
G207-0113 Screening compound: N~4~-[2-(1-azepanyl)ethyl]-1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G207-0113
N~4~-[2-(1-azepanyl)ethyl]-1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

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

G207-0113

Molecular Formula

C26H38N4O3S (C26 H38 N4 O3 S)

Compound Name

N~4~-[2-(1-azepanyl)ethyl]-1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidinecarboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-1-[5-(34-dimethylphenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidine-4-carboxamide

SMILES

CC(C(N(CC1)CCC1C(NCCN1CCCCCC1)=O)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C26H38N4O3S/c1-19-8-9-23(18-20(19)2)24-21(3)25(28-34(24,32)33)30-15-10-22(11-16-30)26(31)27-12-17-29-13-6-4-5-7-14-29/h8-9,18,22H,4-7,10-17H2,1-3H3,(H,27,31)

InChI Key

BDDUOFNJEARWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-3.68

Polar Surface Area

71.699

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

G207-0113 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G207-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G207-0113?
Check Price and Availability of G207-0113, 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 G207-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G207-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G207-0113
  • 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 G207-0113 available by request