C301-7991 Screening compound: 1-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

C301-7991 Screening compound: 1-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
C301-7991 Screening compound: 1-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7991
1-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

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

C301-7991

Molecular Formula

C17H19N5O (C17 H19 N5 O)

Compound Name

1-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

IUPAC name

1-[4-({5-methyl-6-propyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one

SMILES

CCCc1c(Nc(cc2)ccc2C(C)=O)n2ncnc2nc1C

InChI

InChI=1S/C17H19N5O/c1-4-5-15-11(2)20-17-18-10-19-22(17)16(15)21-14-8-6-13(7-9-14)12(3)23/h6-10,21H,4-5H2,1-3H3

InChI Key

KBKBBJNNEDWWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.30

Polar Surface Area

54.728

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C301-7991 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-7991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7991?
Check Price and Availability of C301-7991, 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 C301-7991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7991
  • 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 C301-7991 available by request