C445-0146 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C445-0146 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
C445-0146 Screening compound: 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0146
2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide

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

C445-0146

Molecular Formula

C23H20N8O5S (C23 H20 N8 O5 S)

Compound Name

2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide

IUPAC name

2-{[89-dimethoxy-2-(4-nitrophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSc2nc(cc(c(OC)c3)OC)c3c3nc(-c(cc4)ccc4[N+]([O-])=O)nn23)=O)n[nH]1

InChI

InChI=1S/C23H20N8O5S/c1-12-8-19(28-27-12)25-20(32)11-37-23-24-16-10-18(36-3)17(35-2)9-15(16)22-26-21(29-30(22)23)13-4-6-14(7-5-13)31(33)34/h4-10H,11H2,1-3H3,(H2,25,27,28,32)

InChI Key

JIOHMNOSJLSKJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.07

Polar Surface Area

124.724

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C445-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0146?
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What is the minimum amount of C445-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0146
  • 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 C445-0146 available by request