P666-1102 Screening compound: ethyl 1-({4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-7-yl}sulfonyl)piperidine-4-carboxylate

P666-1102 Screening compound: ethyl 1-({4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-7-yl}sulfonyl)piperidine-4-carboxylate
P666-1102 Screening compound: ethyl 1-({4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-7-yl}sulfonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-1102
ethyl 1-({4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-7-yl}sulfonyl)piperidine-4-carboxylate

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

P666-1102

Molecular Formula

C15H20N4O5S (C15 H20 N4 O5 S)

Compound Name

ethyl 1-({4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-7-yl}sulfonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-({4-methyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-7-yl}sulfonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c(cc12)cn1C(C)=NNC2=O)(=O)=O)=O

InChI

InChI=1S/C15H20N4O5S/c1-3-24-15(21)11-4-6-18(7-5-11)25(22,23)12-8-13-14(20)17-16-10(2)19(13)9-12/h8-9,11H,3-7H2,1-2H3,(H,17,20)

InChI Key

NPSIPPHQXUMWHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.773

Distribution Coefficient, logD

0.771

Water Solubility, LogSw

-2.20

Polar Surface Area

91.819

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

P666-1102 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P666-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1102?
Check Price and Availability of P666-1102, 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 P666-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1102
  • 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 P666-1102 available by request