C445-0147 Screening compound: 2-({[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one

C445-0147 Screening compound: 2-({[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
C445-0147 Screening compound: 2-({[8,9-dimethoxy-2-(4-nitrophenyl)-[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 C445-0147
2-({[8,9-dimethoxy-2-(4-nitrophenyl)-[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

C445-0147

Molecular Formula

C26H19N7O5S (C26 H19 N7 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(c2nc(-c(cc3)ccc3[N+]([O-])=O)nn22)c1nc2SCC(N=C1N2C=CC=C1)=CC2=O

InChI

InChI=1S/C26H19N7O5S/c1-37-20-12-18-19(13-21(20)38-2)28-26(39-14-16-11-23(34)31-10-4-3-5-22(31)27-16)32-25(18)29-24(30-32)15-6-8-17(9-7-15)33(35)36/h3-13H,14H2,1-2H3

InChI Key

UPVLQUJSEAYZKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.15

Polar Surface Area

104.426

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C445-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0147?
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What is the minimum amount of C445-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0147
  • 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 C445-0147 available by request