G397-0676 Screening compound: N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

G397-0676 Screening compound: N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
G397-0676 Screening compound: N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0676
N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-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

G397-0676

Molecular Formula

C23H34N6O2S2 (C23 H34 N6 O2 S2)

Compound Name

N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-(2-{butyl[(thiophen-2-yl)methyl]amino}ethyl)-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CCCCN(CCNC(C(CCC1)CN1c1nnc(N(CCC2)C2=O)s1)=O)Cc1cccs1

InChI

InChI=1S/C23H34N6O2S2/c1-2-3-11-27(17-19-8-6-15-32-19)14-10-24-21(31)18-7-4-12-28(16-18)22-25-26-23(33-22)29-13-5-9-20(29)30/h6,8,15,18H,2-5,7,9-14,16-17H2,1H3,(H,24,31)/t18-/m0/s1

InChI Key

VOYWOTRNZYGEEH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15008913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.25

Polar Surface Area

72.788

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

G397-0676 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G397-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0676?
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What is the minimum amount of G397-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0676
  • 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 G397-0676 available by request