6725-3895 Screening compound: N-cyclohexyl-4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

6725-3895 Screening compound: N-cyclohexyl-4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide
6725-3895 Screening compound: N-cyclohexyl-4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3895
N-cyclohexyl-4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

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

6725-3895

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

N-cyclohexyl-4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

IUPAC name

N-cyclohexyl-4-methyl-3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}benzene-1-sulfonamide

SMILES

Cc(ccc(S(NC1CCCCC1)(=O)=O)c1)c1-c1nnc2n1nc(C)c1c2cccc1

InChI

InChI=1S/C23H25N5O2S/c1-15-12-13-18(31(29,30)27-17-8-4-3-5-9-17)14-21(15)23-25-24-22-20-11-7-6-10-19(20)16(2)26-28(22)23/h6-7,10-14,17,27H,3-5,8-9H2,1-2H3

InChI Key

MIJQZZCJYUBLEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.36

Polar Surface Area

74.946

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

6725-3895 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6725-3895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3895?
Check Price and Availability of 6725-3895, 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 6725-3895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3895
  • 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 6725-3895 available by request