P585-1803 Screening compound: 2-[1,1-dioxo-4-phenyl-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-(4-ethoxyphenyl)acetamide

P585-1803 Screening compound: 2-[1,1-dioxo-4-phenyl-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-(4-ethoxyphenyl)acetamide
P585-1803 Screening compound: 2-[1,1-dioxo-4-phenyl-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P585-1803
2-[1,1-dioxo-4-phenyl-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]-N~1~-(4-ethoxyphenyl)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

P585-1803

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

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

IUPAC name

2-{11-dioxo-4-phenyl-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(CN(c1ccccc1)c1c2cccn1)S2(=O)=O)=O

InChI

InChI=1S/C22H22N4O4S/c1-2-30-19-12-10-17(11-13-19)24-21(27)15-25-16-26(18-7-4-3-5-8-18)22-20(31(25,28)29)9-6-14-23-22/h3-14H,2,15-16H2,1H3,(H,24,27)

InChI Key

YKQWEGQCNDRDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.61

Polar Surface Area

75.089

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with P585-1803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P585-1803?
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What is the minimum amount of P585-1803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P585-1803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P585-1803
  • 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 P585-1803 available by request