P666-1110 Screening compound: 7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1110 Screening compound: 7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1110 Screening compound: 7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-1110
7-{[4-(3-methoxyphenyl)piperazin-1-yl]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

P666-1110

Molecular Formula

C18H21N5O4S (C18 H21 N5 O4 S)

Compound Name

7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

IUPAC name

7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-4-methyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CC(n1c2cc(S(N(CC3)CCN3c3cc(OC)ccc3)(=O)=O)c1)=NNC2=O

InChI

InChI=1S/C18H21N5O4S/c1-13-19-20-18(24)17-11-16(12-23(13)17)28(25,26)22-8-6-21(7-9-22)14-4-3-5-15(10-14)27-2/h3-5,10-12H,6-9H2,1-2H3,(H,20,24)

InChI Key

BNHLQRDSXUTRHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.544

Water Solubility, LogSw

-2.58

Polar Surface Area

81.870

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with P666-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1110?
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What is the minimum amount of P666-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1110
  • 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 P666-1110 available by request