C600-0115 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-oxobutanehydrazide

C600-0115 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-oxobutanehydrazide
C600-0115 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-oxobutanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound C600-0115
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-oxobutanehydrazide

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

C600-0115

Molecular Formula

C25H27ClN8O2 (C25 H27 ClN8 O2)

Compound Name

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-oxobutanehydrazide

IUPAC name

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N'-{2-methyl-[124]triazolo[15-c]quinazolin-5-yl}-4-oxobutanehydrazide

SMILES

Cc1nn2c(NNC(CCC(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C25H27ClN8O2/c1-16-7-8-18(26)15-21(16)32-11-13-33(14-12-32)23(36)10-9-22(35)29-30-25-28-20-6-4-3-5-19(20)24-27-17(2)31-34(24)25/h3-8,15H,9-14H2,1-2H3,(H,28,30)(H,29,35)

InChI Key

DJFZKZSOMMIQLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-3.51

Polar Surface Area

87.435

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C600-0115 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C600-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C600-0115?
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What is the minimum amount of C600-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C600-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C600-0115
  • 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 C600-0115 available by request