C600-0081 Screening compound: 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}butanehydrazide

C600-0081 Screening compound: 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}butanehydrazide
C600-0081 Screening compound: 4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}butanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound C600-0081
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}butanehydrazide

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

C600-0081

Molecular Formula

C26H29N7O2 (C26 H29 N7 O2)

Compound Name

4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}butanehydrazide

IUPAC name

4-(35-dimethylpiperidin-1-yl)-4-oxo-N'-{2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}butanehydrazide

SMILES

CC(CC(C)C1)CN1C(CCC(NNc1nc(cccc2)c2c2nc(-c3ccccc3)nn12)=O)=O

InChI

InChI=1S/C26H29N7O2/c1-17-14-18(2)16-32(15-17)23(35)13-12-22(34)29-30-26-27-21-11-7-6-10-20(21)25-28-24(31-33(25)26)19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,27,30)(H,29,34)

InChI Key

LMUROYBVEVGDNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.76

Polar Surface Area

84.458

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

C600-0081 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 C600-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C600-0081?
Check Price and Availability of C600-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C600-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C600-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C600-0081
  • 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 C600-0081 available by request