P799-0056 Screening compound: 2-(3-fluorobenzyl)-4-(3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

P799-0056 Screening compound: 2-(3-fluorobenzyl)-4-(3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
P799-0056 Screening compound: 2-(3-fluorobenzyl)-4-(3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0056
2-(3-fluorobenzyl)-4-(3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

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

P799-0056

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

2-(3-fluorobenzyl)-4-(3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-[(3-fluorophenyl)methyl]-4-(3-methylphenyl)-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazine-113-trione

SMILES

Cc1cccc(N(c(nccc2)c2S(N2Cc3cc(F)ccc3)(=O)=O)C2=O)c1

InChI

InChI=1S/C20H16FN3O3S/c1-14-5-2-8-17(11-14)24-19-18(9-4-10-22-19)28(26,27)23(20(24)25)13-15-6-3-7-16(21)12-15/h2-12H,13H2,1H3

InChI Key

BWXUPXJGGZLBIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.67

Polar Surface Area

56.679

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P799-0056 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 P799-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0056?
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What is the minimum amount of P799-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0056
  • 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 P799-0056 available by request