C276-1568 Screening compound: 1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine

C276-1568 Screening compound: 1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
C276-1568 Screening compound: 1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1568
1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine

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

C276-1568

Molecular Formula

C16H12ClF4N5 (C16 H12 ClF4 N5)

Compound Name

1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine

IUPAC name

1-(3-chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-16-dihydro-135-triazine-24-diamine

SMILES

NC1=NC(N)=NC(c2c(C(F)(F)F)cccc2)N1c(cc1)cc(Cl)c1F

InChI

InChI=1S/C16H12ClF4N5/c17-11-7-8(5-6-12(11)18)26-13(24-14(22)25-15(26)23)9-3-1-2-4-10(9)16(19,20)21/h1-7,13H,(H4,22,23,24,25)/t13-/m1/s1

InChI Key

CXBCZYCSJBKKLT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07613462

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

385.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

-7.030

Water Solubility, LogSw

-3.88

Polar Surface Area

63.779

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

12.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C276-1568 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C276-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1568?
Check Price and Availability of C276-1568, 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 C276-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1568
  • 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 C276-1568 available by request