P798-0116 Screening compound: 4-(4-bromophenyl)-3-ethyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0116 Screening compound: 4-(4-bromophenyl)-3-ethyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0116 Screening compound: 4-(4-bromophenyl)-3-ethyl-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0116
4-(4-bromophenyl)-3-ethyl-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

P798-0116

Molecular Formula

C14H12BrN3O2S (C14 H12 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(c(cc1)ccc1Br)c1ncccc11)=NS1(=O)=O

InChI

InChI=1S/C14H12BrN3O2S/c1-2-13-17-21(19,20)12-4-3-9-16-14(12)18(13)11-7-5-10(15)6-8-11/h3-9H,2H2,1H3

InChI Key

JNIKERUMCKBTOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-2.88

Polar Surface Area

53.139

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P798-0116 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with P798-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0116?
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What is the minimum amount of P798-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0116
  • 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 P798-0116 available by request