6056-0408 Screening compound: 2-[(1E)-2-{2-acetamido-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate

6056-0408 Screening compound: 2-[(1E)-2-{2-acetamido-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate
6056-0408 Screening compound: 2-[(1E)-2-{2-acetamido-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0408
2-[(1E)-2-{2-acetamido-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate

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

6056-0408

Molecular Formula

C21H16N6O5 (C21 H16 N6 O5)

Compound Name

2-[(1E)-2-{2-acetamido-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate

IUPAC name

2-[(1E)-2-{2-acetamido-[124]triazolo[15-c]quinazolin-5-yl}ethenyl]-4-nitrophenyl acetate

SMILES

CC(Nc1nn2c(/C=C/c(cc(cc3)[N+]([O-])=O)c3OC(C)=O)nc(cccc3)c3c2n1)=O

InChI

InChI=1S/C21H16N6O5/c1-12(28)22-21-24-20-16-5-3-4-6-17(16)23-19(26(20)25-21)10-7-14-11-15(27(30)31)8-9-18(14)32-13(2)29/h3-11H,1-2H3,(H,22,25,28)

InChI Key

NMKJHNHHWDKPAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03924227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.19

Polar Surface Area

109.078

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6056-0408 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6056-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0408?
Check Price and Availability of 6056-0408, 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 6056-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0408
  • 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 6056-0408 available by request