G698-0267 Screening compound: N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

G698-0267 Screening compound: N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
G698-0267 Screening compound: N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G698-0267
N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-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

G698-0267

Molecular Formula

C21H23N3OS2 (C21 H23 N3 OS2)

Compound Name

N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-methylphenyl)-2-{[3-(thiophen-2-yl)-14-diazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc(cccc1)c1NC(CSC1=NC2(CCCCC2)N=C1c1cccs1)=O

InChI

InChI=1S/C21H23N3OS2/c1-15-8-3-4-9-16(15)22-18(25)14-27-20-19(17-10-7-13-26-17)23-21(24-20)11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,25)

InChI Key

NRBNHMDUGBLDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.57

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

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-3.99

Polar Surface Area

40.551

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G698-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0267?
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What is the minimum amount of G698-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0267
  • 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 G698-0267 available by request