M499-9157 Screening compound: 2-butyl-5-(pyridin-4-yl)-2H,3H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

M499-9157 Screening compound: 2-butyl-5-(pyridin-4-yl)-2H,3H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
M499-9157 Screening compound: 2-butyl-5-(pyridin-4-yl)-2H,3H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-c]quinazolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M499-9157
2-butyl-5-(pyridin-4-yl)-2H,3H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-c]quinazolin-3-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

M499-9157

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

2-butyl-5-(pyridin-4-yl)-2H,3H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

IUPAC name

2-butyl-5-(pyridin-4-yl)-2H3H7H8H9H10H-[124]triazolo[43-c]quinazolin-3-one

SMILES

CCCCN(C1=O)N=C2N1C(c1ccncc1)=NC1=C2CCCC1

InChI

InChI=1S/C18H21N5O/c1-2-3-12-22-18(24)23-16(13-8-10-19-11-9-13)20-15-7-5-4-6-14(15)17(23)21-22/h8-11H,2-7,12H2,1H3

InChI Key

AYVIIORWAOXALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

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

2.637

Distribution Coefficient, logD

-0.095

Water Solubility, LogSw

-2.33

Polar Surface Area

50.538

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

M499-9157 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 M499-9157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M499-9157?
Check Price and Availability of M499-9157, 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 M499-9157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M499-9157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M499-9157
  • 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 M499-9157 available by request