C445-0315 Screening compound: 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

C445-0315 Screening compound: 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
C445-0315 Screening compound: 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0315
2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)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

C445-0315

Molecular Formula

C31H31N7O4S (C31 H31 N7 O4 S)

Compound Name

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

IUPAC name

2-({89-dimethoxy-2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

SMILES

CCOc(cccc1)c1NC(CSc1nc(cc(c(OC)c2)OC)c2c2nc(CCn3c(cccc4)c4nc3C)nn12)=O

InChI

InChI=1S/C31H31N7O4S/c1-5-42-25-13-9-7-11-22(25)33-29(39)18-43-31-34-23-17-27(41-4)26(40-3)16-20(23)30-35-28(36-38(30)31)14-15-37-19(2)32-21-10-6-8-12-24(21)37/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,33,39)

InChI Key

ZDQXRFOIIJEWJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.31

Polar Surface Area

86.666

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C445-0315 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C445-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0315?
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What is the minimum amount of C445-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0315
  • 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 C445-0315 available by request