C736-0499 Screening compound: 2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-1H-1,3-benzodiazole

C736-0499 Screening compound: 2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-1H-1,3-benzodiazole
C736-0499 Screening compound: 2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0499
2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-1H-1,3-benzodiazole

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

C736-0499

Molecular Formula

C25H27N7 (C25 H27 N7)

Compound Name

2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]ethyl}-1H-1,3-benzodiazole

IUPAC name

2-methyl-1-{2-[5-(4-methylpiperidin-1-yl)-[124]triazolo[15-c]quinazolin-2-yl]ethyl}-1H-13-benzodiazole

SMILES

CC(CC1)CCN1c1nc(cccc2)c2c2nc(CCn3c(cccc4)c4nc3C)nn12

InChI

InChI=1S/C25H27N7/c1-17-11-14-30(15-12-17)25-27-20-8-4-3-7-19(20)24-28-23(29-32(24)25)13-16-31-18(2)26-21-9-5-6-10-22(21)31/h3-10,17H,11-16H2,1-2H3

InChI Key

YRNSEMOLGYVJPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-4.73

Polar Surface Area

44.426

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C736-0499 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C736-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0499?
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What is the minimum amount of C736-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0499
  • 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 C736-0499 available by request