P799-0057 Screening compound: ethyl 2-[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

P799-0057 Screening compound: ethyl 2-[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate
P799-0057 Screening compound: ethyl 2-[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P799-0057
ethyl 2-[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

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

P799-0057

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

ethyl 2-[4-(3-methylphenyl)-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]acetate

IUPAC name

ethyl 2-[4-(3-methylphenyl)-113-trioxo-2H3H4H-1lambda6-pyrido[23-e][124]thiadiazin-2-yl]acetate

SMILES

CCOC(CN(C(N(c1cc(C)ccc1)c1c2cccn1)=O)S2(=O)=O)=O

InChI

InChI=1S/C17H17N3O5S/c1-3-25-15(21)11-19-17(22)20(13-7-4-6-12(2)10-13)16-14(26(19,23)24)8-5-9-18-16/h4-10H,3,11H2,1-2H3

InChI Key

RYFJBECUHOSKBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

1.996

Water Solubility, LogSw

-2.54

Polar Surface Area

77.109

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

P799-0057 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 P799-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P799-0057?
Check Price and Availability of P799-0057, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P799-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P799-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P799-0057
  • 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 P799-0057 available by request