6865-4152 Screening compound: 4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

6865-4152 Screening compound: 4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
6865-4152 Screening compound: 4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4152
4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]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

6865-4152

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-methoxy-3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

SMILES

Cc1nn2c(-c(cc(cc3)S(NCC4OCCC4)(=O)=O)c3OC)nnc2c2c1cccc2

InChI

InChI=1S/C22H23N5O4S/c1-14-17-7-3-4-8-18(17)21-24-25-22(27(21)26-14)19-12-16(9-10-20(19)30-2)32(28,29)23-13-15-6-5-11-31-15/h3-4,7-10,12,15,23H,5-6,11,13H2,1-2H3/t15-/m1/s1

InChI Key

YLADTGSXQPAJBW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05687365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-2.91

Polar Surface Area

91.292

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

6865-4152 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6865-4152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4152?
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What is the minimum amount of 6865-4152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4152
  • 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 6865-4152 available by request