P798-0129 Screening compound: 4-(4-bromo-3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione

P798-0129 Screening compound: 4-(4-bromo-3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione
P798-0129 Screening compound: 4-(4-bromo-3-methylphenyl)-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P798-0129
4-(4-bromo-3-methylphenyl)-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

P798-0129

Molecular Formula

C13H10BrN3O2S (C13 H10 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)N(C=N2)c3ncccc3S2(=O)=O)c1Br

InChI

InChI=1S/C13H10BrN3O2S/c1-9-7-10(4-5-11(9)14)17-8-16-20(18,19)12-3-2-6-15-13(12)17/h2-8H,1H3

InChI Key

HDGFKQISHMSTQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.16

Polar Surface Area

53.350

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

P798-0129 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 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 P798-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P798-0129?
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What is the minimum amount of P798-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P798-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P798-0129
  • 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 P798-0129 available by request