P666-1159 Screening compound: 7-(2,3-dihydro-1H-indole-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1159 Screening compound: 7-(2,3-dihydro-1H-indole-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1159 Screening compound: 7-(2,3-dihydro-1H-indole-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 P666-1159
7-(2,3-dihydro-1H-indole-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

P666-1159

Molecular Formula

C15H14N4O3S (C15 H14 N4 O3 S)

Compound Name

7-(2,3-dihydro-1H-indole-1-sulfonyl)-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

7-(23-dihydro-1H-indole-1-sulfonyl)-4-methyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2cc(S(N(CC3)c4c3cccc4)(=O)=O)c1)=NNC2=O

InChI

InChI=1S/C15H14N4O3S/c1-10-16-17-15(20)14-8-12(9-18(10)14)23(21,22)19-7-6-11-4-2-3-5-13(11)19/h2-5,8-9H,6-7H2,1H3,(H,17,20)

InChI Key

MEGFTCKNJVHBGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-2.47

Polar Surface Area

70.873

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P666-1159 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P666-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1159?
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What is the minimum amount of P666-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1159
  • 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 P666-1159 available by request