G698-0392 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide

G698-0392 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
G698-0392 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G698-0392
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}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

G698-0392

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[3-(thiophen-2-yl)-14-diazaspiro[4.6]undeca-13-dien-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H23N3O3S2/c26-19(23-15-7-8-16-17(12-15)28-14-27-16)13-30-21-20(18-6-5-11-29-18)24-22(25-21)9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10,13-14H2,(H,23,26)

InChI Key

IUTFAIQMZRTSQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.35

Polar Surface Area

58.695

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G698-0392 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G698-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0392?
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What is the minimum amount of G698-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0392
  • 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 G698-0392 available by request