C600-0029 Screening compound: N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide

C600-0029 Screening compound: N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide
C600-0029 Screening compound: N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C600-0029
N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide

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

C600-0029

Molecular Formula

C22H21N7O2 (C22 H21 N7 O2)

Compound Name

N-allyl-4-oxo-4-[2-(2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]butanamide

IUPAC name

3-(N'-{2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}hydrazinecarbonyl)-N-(prop-2-en-1-yl)propanamide

SMILES

C=CCNC(CCC(NNc1nc(cccc2)c2c2nc(-c3ccccc3)nn12)=O)=O

InChI

InChI=1S/C22H21N7O2/c1-2-14-23-18(30)12-13-19(31)26-27-22-24-17-11-7-6-10-16(17)21-25-20(28-29(21)22)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,30)(H,24,27)(H,26,31)

InChI Key

XMNJCICKJODNJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.828

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-2.22

Polar Surface Area

92.783

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

C600-0029 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human GPCR Annotated Library (5539 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 C600-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C600-0029?
Check Price and Availability of C600-0029, 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 C600-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C600-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C600-0029
  • 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 C600-0029 available by request