C445-0087 Screening compound: N~1~-cyclohexyl-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

C445-0087 Screening compound: N~1~-cyclohexyl-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
C445-0087 Screening compound: N~1~-cyclohexyl-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0087
N~1~-cyclohexyl-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]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

C445-0087

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

N~1~-cyclohexyl-2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

IUPAC name

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

SMILES

COc(c(OC)c1)cc(c2nc(-c3ccccc3)nn22)c1nc2SCC(NC1CCCCC1)=O

InChI

InChI=1S/C25H27N5O3S/c1-32-20-13-18-19(14-21(20)33-2)27-25(34-15-22(31)26-17-11-7-4-8-12-17)30-24(18)28-23(29-30)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-2H3,(H,26,31)

InChI Key

PDGZSVQYEGSXOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.35

Polar Surface Area

69.255

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C445-0087 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C445-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0087?
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What is the minimum amount of C445-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0087
  • 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 C445-0087 available by request