C301-7998 Screening compound: N-(2-chloro-4-methylphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C301-7998 Screening compound: N-(2-chloro-4-methylphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
C301-7998 Screening compound: N-(2-chloro-4-methylphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7998
N-(2-chloro-4-methylphenyl)-5-ethyl-[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

C301-7998

Molecular Formula

C14H14ClN5 (C14 H14 ClN5)

Compound Name

N-(2-chloro-4-methylphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-(2-chloro-4-methylphenyl)-5-ethyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCc1nc2ncnn2c(Nc(ccc(C)c2)c2Cl)c1

InChI

InChI=1S/C14H14ClN5/c1-3-10-7-13(20-14(18-10)16-8-17-20)19-12-5-4-9(2)6-11(12)15/h4-8,19H,3H2,1-2H3

InChI Key

XSNMBSJWRUKXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-3.85

Polar Surface Area

41.044

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C301-7998 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Structure:
  • Fragments
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-7998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7998?
Check Price and Availability of C301-7998, 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 C301-7998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7998
  • 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 C301-7998 available by request