C301-9133 Screening compound: 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)aniline

C301-9133 Screening compound: 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)aniline
C301-9133 Screening compound: 2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9133
2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)aniline

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

C301-9133

Molecular Formula

C18H15N5S (C18 H15 N5 S)

Compound Name

2-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)aniline

IUPAC name

2-({5-methyl-2-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)aniline

SMILES

Cc1nc2nc(-c3ccccc3)nn2c(Sc(cccc2)c2N)c1

InChI

InChI=1S/C18H15N5S/c1-12-11-16(24-15-10-6-5-9-14(15)19)23-18(20-12)21-17(22-23)13-7-3-2-4-8-13/h2-11H,19H2,1H3

InChI Key

FAHPDPOGYLVUAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.01

Polar Surface Area

50.633

Acid Dissociation Constant (pKa)

23.41

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C301-9133 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-9133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9133?
Check Price and Availability of C301-9133, 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 C301-9133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9133
  • 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 C301-9133 available by request