C445-0318 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-(2,4-dimethylphenyl)acetamide

C445-0318 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-(2,4-dimethylphenyl)acetamide
C445-0318 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-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0318
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-(2,4-dimethylphenyl)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

C445-0318

Molecular Formula

C31H31N7O3S (C31 H31 N7 O3 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-(2,4-dimethylphenyl)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-(24-dimethylphenyl)acetamide

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(SCC(Nc3c(C)cc(C)cc3)=O)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C31H31N7O3S/c1-18-10-11-22(19(2)14-18)33-29(39)17-42-31-34-24-16-27(41-5)26(40-4)15-21(24)30-35-28(36-38(30)31)12-13-37-20(3)32-23-8-6-7-9-25(23)37/h6-11,14-16H,12-13,17H2,1-5H3,(H,33,39)

InChI Key

IIXUMHATEPMQJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.60

Polar Surface Area

79.455

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with C445-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0318?
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What is the minimum amount of C445-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0318
  • 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 C445-0318 available by request