P666-2139 Screening compound: 4-ethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-2139 Screening compound: 4-ethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-2139 Screening compound: 4-ethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-2139
4-ethyl-7-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-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

P666-2139

Molecular Formula

C19H23N5O4S (C19 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H23N5O4S/c1-3-18-20-21-19(25)17-12-16(13-24(17)18)29(26,27)23-9-7-22(8-10-23)14-5-4-6-15(11-14)28-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,25)

InChI Key

HBBJQQXRYUYELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.66

Polar Surface Area

82.961

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with P666-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-2139?
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What is the minimum amount of P666-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-2139
  • 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 P666-2139 available by request