6725-3989 Screening compound: N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide

6725-3989 Screening compound: N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide
6725-3989 Screening compound: N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3989
N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide

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

6725-3989

Molecular Formula

C23H23N5O (C23 H23 N5 O)

Compound Name

N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide

IUPAC name

N-(3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)cyclohexanecarboxamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c1cccc(NC(C2CCCCC2)=O)c1

InChI

InChI=1S/C23H23N5O/c1-15-19-12-5-6-13-20(19)22-26-25-21(28(22)27-15)17-10-7-11-18(14-17)24-23(29)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3,(H,24,29)

InChI Key

COXDWOYZLDGOBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.41

Polar Surface Area

56.532

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

6725-3989 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 6725-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3989?
Check Price and Availability of 6725-3989, 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 6725-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3989
  • 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 6725-3989 available by request