P585-2103 Screening compound: 2-benzyl-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

P585-2103 Screening compound: 2-benzyl-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione
P585-2103 Screening compound: 2-benzyl-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2103
2-benzyl-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

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

P585-2103

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

2-benzyl-4-(4-methylphenyl)-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(2H)-dione

IUPAC name

2-benzyl-4-(4-methylphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

Cc(cc1)ccc1N(CN1Cc2ccccc2)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C20H19N3O2S/c1-16-9-11-18(12-10-16)23-15-22(14-17-6-3-2-4-7-17)26(24,25)19-8-5-13-21-20(19)23/h2-13H,14-15H2,1H3

InChI Key

HPFCFEZHEPOURK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.22

Polar Surface Area

44.816

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P585-2103 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P585-2103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2103?
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What is the minimum amount of P585-2103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2103
  • 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 P585-2103 available by request