P798-0072 Screening compound: methyl 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzoate

P798-0072 Screening compound: methyl 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzoate
P798-0072 Screening compound: methyl 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0072
methyl 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzoate

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

P798-0072

Molecular Formula

C14H11N3O4S (C14 H11 N3 O4 S)

Compound Name

methyl 3-[1,1-dioxo-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-4(1H)-yl]benzoate

IUPAC name

methyl 3-{11-dioxo-4H-1lambda6-pyrido[23-e][124]thiadiazin-4-yl}benzoate

SMILES

COC(c1cccc(N(C=N2)c(nccc3)c3S2(=O)=O)c1)=O

InChI

InChI=1S/C14H11N3O4S/c1-21-14(18)10-4-2-5-11(8-10)17-9-16-22(19,20)12-6-3-7-15-13(12)17/h2-9H,1H3

InChI Key

KFBSFAMFDRPPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-2.25

Polar Surface Area

74.524

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

P798-0072 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 P798-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0072?
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What is the minimum amount of P798-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0072
  • 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 P798-0072 available by request