7591-0221 Screening compound: 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine

7591-0221 Screening compound: 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine
7591-0221 Screening compound: 2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0221
2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine

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

7591-0221

Molecular Formula

C18H13F6N3 (C18 H13 F6 N3)

Compound Name

2-benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine

IUPAC name

2-benzyl-6-phenyl-44-bis(trifluoromethyl)-14-dihydro-135-triazine

SMILES

FC(C1(C(F)(F)F)N=C(c2ccccc2)NC(Cc2ccccc2)=N1)(F)F

InChI

InChI=1S/C18H13F6N3/c19-17(20,21)16(18(22,23)24)26-14(11-12-7-3-1-4-8-12)25-15(27-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26,27)

InChI Key

UAHOVJSNVOHXFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-4.89

Polar Surface Area

32.105

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

7591-0221 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7591-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0221?
Check Price and Availability of 7591-0221, 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 7591-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0221
  • 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 7591-0221 available by request