C445-0090 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide

C445-0090 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
C445-0090 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0090
2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]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

C445-0090

Molecular Formula

C24H21N5O4S (C24 H21 N5 O4 S)

Compound Name

2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-({89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide

SMILES

COc(c(OC)c1)cc(c2nc(-c3ccccc3)nn22)c1nc2SCC(NCc1ccco1)=O

InChI

InChI=1S/C24H21N5O4S/c1-31-19-11-17-18(12-20(19)32-2)26-24(34-14-21(30)25-13-16-9-6-10-33-16)29-23(17)27-22(28-29)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,25,30)

InChI Key

RZBYLQPRRXPGKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.27

Polar Surface Area

77.278

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C445-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0090?
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What is the minimum amount of C445-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0090
  • 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 C445-0090 available by request