8020-0583 Screening compound: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide

8020-0583 Screening compound: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide
8020-0583 Screening compound: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0583
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide

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

8020-0583

Molecular Formula

C10H17N3S2 (C10 H17 N3 S2)

Compound Name

N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide

IUPAC name

N-[(135-trimethyl-1H-pyrazol-4-yl)methyl](ethylsulfanyl)carbothioamide

SMILES

CCSC(NCc1c(C)n(C)nc1C)=S

InChI

InChI=1S/C10H17N3S2/c1-5-15-10(14)11-6-9-7(2)12-13(4)8(9)3/h5-6H2,1-4H3,(H,11,14)

InChI Key

HVEXUNWEDCAEGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-1.65

Polar Surface Area

25.706

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 8020-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0583?
Check Price and Availability of 8020-0583, 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 8020-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0583
  • 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 8020-0583 available by request