C445-0249 Screening compound: 2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

C445-0249 Screening compound: 2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
C445-0249 Screening compound: 2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0249
2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-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

C445-0249

Molecular Formula

C27H26N8O3S (C27 H26 N8 O3 S)

Compound Name

2-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-[({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-89-dimethoxy-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)methyl]-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc1cc(C)nn1CCc1nn2c(SCC(N=C3N4C=CC=C3)=CC4=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C27H26N8O3S/c1-16-11-17(2)34(31-16)10-8-23-30-26-19-13-21(37-3)22(38-4)14-20(19)29-27(35(26)32-23)39-15-18-12-25(36)33-9-6-5-7-24(33)28-18/h5-7,9,11-14H,8,10,15H2,1-4H3

InChI Key

XPSPMJNEEHSHRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.161

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.24

Polar Surface Area

86.020

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C445-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0249?
Check Price and Availability of C445-0249, 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 C445-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0249
  • 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 C445-0249 available by request