G698-0236 Screening compound: N-(3,4-dimethylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide

G698-0236 Screening compound: N-(3,4-dimethylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
G698-0236 Screening compound: N-(3,4-dimethylphenyl)-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 G698-0236
N-(3,4-dimethylphenyl)-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

G698-0236

Molecular Formula

C23H27N3OS2 (C23 H27 N3 OS2)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-2-{[3-(thiophen-2-yl)-14-diazaspiro[4.6]undeca-13-dien-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSC1=NC2(CCCCCC2)N=C1c1cccs1)=O

InChI

InChI=1S/C23H27N3OS2/c1-16-9-10-18(14-17(16)2)24-20(27)15-29-22-21(19-8-7-13-28-19)25-23(26-22)11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,27)

InChI Key

GQQYFUUKQSBNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.62

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

5.748

Distribution Coefficient, logD

5.748

Water Solubility, LogSw

-5.14

Polar Surface Area

41.580

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with G698-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0236?
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What is the minimum amount of G698-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0236
  • 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 G698-0236 available by request