M499-7972 Screening compound: [7-ethyl-5-isopropyl-8-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]methyl cyanide

M499-7972 Screening compound: [7-ethyl-5-isopropyl-8-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]methyl cyanide
M499-7972 Screening compound: [7-ethyl-5-isopropyl-8-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound M499-7972
[7-ethyl-5-isopropyl-8-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]methyl cyanide

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

M499-7972

Molecular Formula

C13H17N5O (C13 H17 N5 O)

Compound Name

[7-ethyl-5-isopropyl-8-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]methyl cyanide

IUPAC name

n/a

SMILES

CCC(N=C(C(C)C)N12)=C(C)C2=NN(CC#N)C1=O

InChI

InChI=1S/C13H17N5O/c1-5-10-9(4)12-16-17(7-6-14)13(19)18(12)11(15-10)8(2)3/h8H,5,7H2,1-4H3

InChI Key

NWVBEBYCHJAACY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.573

Distribution Coefficient, logD

1.176

Water Solubility, LogSw

-1.22

Polar Surface Area

59.161

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

M499-7972 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M499-7972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M499-7972?
Check Price and Availability of M499-7972, 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 M499-7972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M499-7972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M499-7972
  • 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 M499-7972 available by request