8005-3045 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide

8005-3045 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide
8005-3045 Screening compound: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3045
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide

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

8005-3045

Molecular Formula

C9H9F3N6OS (C9 H9 F3 N6 OS)

Compound Name

N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2,2,2-trifluoroacetamide

IUPAC name

N-[3-(35-dimethyl-1H-pyrazol-1-yl)-5-sulfanyl-4H-124-triazol-4-yl]-222-trifluoroacetamide

SMILES

Cc1cc(C)nn1-c(n1NC(C(F)(F)F)=O)nnc1S

InChI

InChI=1S/C9H9F3N6OS/c1-4-3-5(2)17(15-4)7-13-14-8(20)18(7)16-6(19)9(10,11)12/h3H,1-2H3,(H,14,20)(H,16,19)

InChI Key

LSJUHZJHPOJGEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.428

Distribution Coefficient, logD

-1.105

Water Solubility, LogSw

-1.42

Polar Surface Area

64.020

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8005-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3045?
Check Price and Availability of 8005-3045, 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 8005-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3045
  • 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 8005-3045 available by request