P798-0141 Screening compound: 4-[4-(methylsulfonyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0141 Screening compound: 4-[4-(methylsulfonyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0141 Screening compound: 4-[4-(methylsulfonyl)phenyl]-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0141
4-[4-(methylsulfonyl)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

P798-0141

Molecular Formula

C13H11N3O4S2 (C13 H11 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(c(cc1)ccc1N(C=N1)c(nccc2)c2S1(=O)=O)(=O)=O

InChI

InChI=1S/C13H11N3O4S2/c1-21(17,18)11-6-4-10(5-7-11)16-9-15-22(19,20)12-3-2-8-14-13(12)16/h2-9H,1H3

InChI Key

XQPRPFUDDQCELC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.335

Distribution Coefficient, logD

0.335

Water Solubility, LogSw

-1.87

Polar Surface Area

83.099

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

P798-0141 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with P798-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0141?
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What is the minimum amount of P798-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0141
  • 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 P798-0141 available by request