G397-0182 Screening compound: N~2~-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide

G397-0182 Screening compound: N~2~-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide
G397-0182 Screening compound: N~2~-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0182
N~2~-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide

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

G397-0182

Molecular Formula

C22H28N6O2S (C22 H28 N6 O2 S)

Compound Name

N~2~-{2-[3,4-dihydro-1(2H)-quinolinyl]ethyl}-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)NCCN(CCC1)c2c1cccc2

InChI

InChI=1S/C22H28N6O2S/c29-19-10-5-14-28(19)22-25-24-21(31-22)27-13-4-9-18(27)20(30)23-11-15-26-12-3-7-16-6-1-2-8-17(16)26/h1-2,6,8,18H,3-5,7,9-15H2,(H,23,30)/t18-/m0/s1

InChI Key

ABBXNEFXJMZPCX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15008802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.74

Polar Surface Area

70.769

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

G397-0182 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G397-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0182?
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What is the minimum amount of G397-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0182
  • 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 G397-0182 available by request