5498-2535 Screening compound: 5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

5498-2535 Screening compound: 5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
5498-2535 Screening compound: 5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2535
5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-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

5498-2535

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

IUPAC name

5-(4-ethoxyphthalazin-1-yl)-2-methyl-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

SMILES

CCOc1nnc(-c2cc(S(NCc3cnccc3)(=O)=O)c(C)cc2)c2ccccc12

InChI

InChI=1S/C23H22N4O3S/c1-3-30-23-20-9-5-4-8-19(20)22(26-27-23)18-11-10-16(2)21(13-18)31(28,29)25-15-17-7-6-12-24-14-17/h4-14,25H,3,15H2,1-2H3

InChI Key

FECUUXMORFWCSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-3.87

Polar Surface Area

81.366

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5498-2535 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5498-2535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2535?
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What is the minimum amount of 5498-2535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2535
  • 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 5498-2535 available by request