P666-1108 Screening compound: 7-(azepane-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1108 Screening compound: 7-(azepane-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1108 Screening compound: 7-(azepane-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-1108
7-(azepane-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

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

P666-1108

Molecular Formula

C13H18N4O3S (C13 H18 N4 O3 S)

Compound Name

7-(azepane-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

7-(azepane-1-sulfonyl)-4-methyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2cc(S(N3CCCCCC3)(=O)=O)c1)=NNC2=O

InChI

InChI=1S/C13H18N4O3S/c1-10-14-15-13(18)12-8-11(9-17(10)12)21(19,20)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,15,18)

InChI Key

UZDKGTPRAFUDQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-2.26

Polar Surface Area

71.396

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

P666-1108 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P666-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1108?
Check Price and Availability of P666-1108, 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 P666-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1108
  • 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 P666-1108 available by request