7591-0159 Screening compound: 5-isopropyl-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole

7591-0159 Screening compound: 5-isopropyl-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole
7591-0159 Screening compound: 5-isopropyl-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0159
5-isopropyl-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole

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

7591-0159

Molecular Formula

C13H13F6N3 (C13 H13 F6 N3)

Compound Name

5-isopropyl-1-phenyl-3,3-bis(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazole

IUPAC name

1-phenyl-5-(propan-2-yl)-33-bis(trifluoromethyl)-23-dihydro-1H-124-triazole

SMILES

CC(C)C1=NC(C(F)(F)F)(C(F)(F)F)NN1c1ccccc1

InChI

InChI=1S/C13H13F6N3/c1-8(2)10-20-11(12(14,15)16,13(17,18)19)21-22(10)9-6-4-3-5-7-9/h3-8,21H,1-2H3

InChI Key

QIQFLBZZVPOOTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02324941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-4.22

Polar Surface Area

26.685

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

7591-0159 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7591-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0159?
Check Price and Availability of 7591-0159, 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 7591-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0159
  • 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 7591-0159 available by request