8010-6491 Screening compound: 2-(2,3-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione

8010-6491 Screening compound: 2-(2,3-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione
8010-6491 Screening compound: 2-(2,3-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6491
2-(2,3-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione

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

8010-6491

Molecular Formula

C20H31N3S (C20 H31 N3 S)

Compound Name

2-(2,3-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]decane-3-thione

IUPAC name

2-(23-dimethylphenyl)-8-(2-methylbutan-2-yl)-124-triazaspiro[4.5]decane-3-thione

SMILES

CCC(C)(C)C(CC1)CCC1(NC1=S)NN1c1c(C)c(C)ccc1

InChI

InChI=1S/C20H31N3S/c1-6-19(4,5)16-10-12-20(13-11-16)21-18(24)23(22-20)17-9-7-8-14(2)15(17)3/h7-9,16,22H,6,10-13H2,1-5H3,(H,21,24)

InChI Key

FPTFVPUGHUHUBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.48

Polar Surface Area

27.592

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with 8010-6491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6491?
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What is the minimum amount of 8010-6491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6491
  • 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 8010-6491 available by request