P798-0122 Screening compound: 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0122 Screening compound: 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0122 Screening compound: 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0122
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-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

P798-0122

Molecular Formula

C15H12F3N3O2S (C15 H12 F3 N3 O2 S)

Compound Name

3-ethyl-4-[3-(trifluoromethyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

IUPAC name

3-ethyl-4-[3-(trifluoromethyl)phenyl]-4H-1lambda6-pyrido[23-e][124]thiadiazine-11-dione

SMILES

CCC(N(c1cc(C(F)(F)F)ccc1)c1c2cccn1)=NS2(=O)=O

InChI

InChI=1S/C15H12F3N3O2S/c1-2-13-20-24(22,23)12-7-4-8-19-14(12)21(13)11-6-3-5-10(9-11)15(16,17)18/h3-9H,2H2,1H3

InChI Key

HEDYEOFJOCTIKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.34

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

2.727

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.06

Polar Surface Area

53.139

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with P798-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0122?
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What is the minimum amount of P798-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0122
  • 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 P798-0122 available by request