7591-0151 Screening compound: 2,2-bis(trifluoromethyl)-2H,3H,4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

7591-0151 Screening compound: 2,2-bis(trifluoromethyl)-2H,3H,4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
7591-0151 Screening compound: 2,2-bis(trifluoromethyl)-2H,3H,4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0151
2,2-bis(trifluoromethyl)-2H,3H,4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

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

7591-0151

Molecular Formula

C7H3F6N3OS (C7 H3 F6 N3 OS)

Compound Name

2,2-bis(trifluoromethyl)-2H,3H,4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

IUPAC name

22-bis(trifluoromethyl)-2H3H4H-[13]thiazolo[32-a][135]triazin-4-one

SMILES

O=C1N(C=CS2)C2=NC(C(F)(F)F)(C(F)(F)F)N1

InChI

InChI=1S/C7H3F6N3OS/c8-6(9,10)5(7(11,12)13)14-3(17)16-1-2-18-4(16)15-5/h1-2H,(H,14,17)

InChI Key

LHDUXZJXKHLNFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

-2.752

Water Solubility, LogSw

-2.68

Polar Surface Area

37.760

Acid Dissociation Constant (pKa)

2.50

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

7591-0151 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7591-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0151?
Check Price and Availability of 7591-0151, 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 7591-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0151
  • 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 7591-0151 available by request