C301-8033 Screening compound: 5-ethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C301-8033 Screening compound: 5-ethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
C301-8033 Screening compound: 5-ethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8033
5-ethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

C301-8033

Molecular Formula

C14H12F3N5 (C14 H12 F3 N5)

Compound Name

5-ethyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

5-ethyl-N-[3-(trifluoromethyl)phenyl]-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1nc2ncnn2c(Nc2cccc(C(F)(F)F)c2)c1

InChI

InChI=1S/C14H12F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-4-9(6-11)14(15,16)17/h3-8,20H,2H2,1H3

InChI Key

UUEIDLQTVVSFJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.98

Polar Surface Area

41.742

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C301-8033 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8033?
Check Price and Availability of C301-8033, 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 C301-8033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8033
  • 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 C301-8033 available by request