G397-0186 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

G397-0186 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
G397-0186 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0186
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

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

G397-0186

Molecular Formula

C24H34N6O2S (C24 H34 N6 O2 S)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]pyrrolidine-2-carboxamide

SMILES

CC(C)N(CCCNC(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)=O)Cc1ccccc1

InChI

InChI=1S/C24H34N6O2S/c1-18(2)28(17-19-9-4-3-5-10-19)14-8-13-25-22(32)20-11-6-15-29(20)23-26-27-24(33-23)30-16-7-12-21(30)31/h3-5,9-10,18,20H,6-8,11-17H2,1-2H3,(H,25,32)/t20-/m0/s1

InChI Key

LZBODMSHAFELNP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15008805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

0.832

Water Solubility, LogSw

-3.27

Polar Surface Area

71.553

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

G397-0186 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G397-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0186?
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What is the minimum amount of G397-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0186
  • 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 G397-0186 available by request