P585-2094 Screening compound: N~1~-cyclohexyl-N~1~-methyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetamide

P585-2094 Screening compound: N~1~-cyclohexyl-N~1~-methyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetamide
P585-2094 Screening compound: N~1~-cyclohexyl-N~1~-methyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-2094
N~1~-cyclohexyl-N~1~-methyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetamide

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

P585-2094

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

N~1~-cyclohexyl-N~1~-methyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetamide

IUPAC name

N-cyclohexyl-N-methyl-2-[4-(4-methylphenyl)-11-dioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetamide

SMILES

Cc(cc1)ccc1N(CN1CC(N(C)C2CCCCC2)=O)c(nccc2)c2S1(=O)=O

InChI

InChI=1S/C22H28N4O3S/c1-17-10-12-19(13-11-17)26-16-25(30(28,29)20-9-6-14-23-22(20)26)15-21(27)24(2)18-7-4-3-5-8-18/h6,9-14,18H,3-5,7-8,15-16H2,1-2H3

InChI Key

IZATWNQPMTZSKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.60

Polar Surface Area

59.762

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P585-2094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P585-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2094?
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What is the minimum amount of P585-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2094
  • 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 P585-2094 available by request