G698-0270 Screening compound: N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide

G698-0270 Screening compound: N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
G698-0270 Screening compound: N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G698-0270
N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-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

G698-0270

Molecular Formula

C20H21N3OS2 (C20 H21 N3 OS2)

Compound Name

N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-methylphenyl)-2-{[3-(thiophen-2-yl)-14-diazaspiro[4.4]nona-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSC2=NC3(CCCC3)N=C2c2cccs2)=O)c1

InChI

InChI=1S/C20H21N3OS2/c1-14-6-4-7-15(12-14)21-17(24)13-26-19-18(16-8-5-11-25-16)22-20(23-19)9-2-3-10-20/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,24)

InChI Key

BNSZJFPAFAIPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.19

Polar Surface Area

41.615

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G698-0270 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 G698-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0270?
Check Price and Availability of G698-0270, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G698-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0270
  • 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 G698-0270 available by request