P585-2078 Screening compound: N~1~-butyl-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

P585-2078 Screening compound: N~1~-butyl-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
P585-2078 Screening compound: N~1~-butyl-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 P585-2078
N~1~-butyl-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

P585-2078

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

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

SMILES

CCCCN(C)C(CN(CN(c1ccc(C)cc1)c1c2cccn1)S2(=O)=O)=O

InChI

InChI=1S/C20H26N4O3S/c1-4-5-13-22(3)19(25)14-23-15-24(17-10-8-16(2)9-11-17)20-18(28(23,26)27)7-6-12-21-20/h6-12H,4-5,13-15H2,1-3H3

InChI Key

FZDGJKCCQSDYIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.20

Polar Surface Area

60.960

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P585-2078 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P585-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-2078?
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What is the minimum amount of P585-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-2078
  • 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 P585-2078 available by request