G397-0447 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

G397-0447 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide
G397-0447 Screening compound: N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0447
N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

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

G397-0447

Molecular Formula

C21H32N6O3S (C21 H32 N6 O3 S)

Compound Name

N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide

IUPAC name

N-(3-{butyl[(furan-2-yl)methyl]amino}propyl)-2-{methyl[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]amino}acetamide

SMILES

CCCCN(CCCNC(CN(C)c1nnc(N(CCC2)C2=O)s1)=O)Cc1ccco1

InChI

InChI=1S/C21H32N6O3S/c1-3-4-11-26(15-17-8-6-14-30-17)12-7-10-22-18(28)16-25(2)20-23-24-21(31-20)27-13-5-9-19(27)29/h6,8,14H,3-5,7,9-13,15-16H2,1-2H3,(H,22,28)

InChI Key

NNJWZFCHXVCKSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

1.097

Water Solubility, LogSw

-2.78

Polar Surface Area

79.145

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G397-0447 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G397-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0447?
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What is the minimum amount of G397-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0447
  • 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 G397-0447 available by request