P666-1608 Screening compound: 7-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1608 Screening compound: 7-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1608 Screening compound: 7-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P666-1608
7-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-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

P666-1608

Molecular Formula

C19H22ClN5O3S (C19 H22 ClN5 O3 S)

Compound Name

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

IUPAC name

7-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H2H-pyrrolo[12-d][124]triazin-1-one

SMILES

CCN(C1=O)N=C(C)n2c1cc(S(N(CC1)CCN1c(cccc1)c1Cl)(=O)=O)c2

InChI

InChI=1S/C19H22ClN5O3S/c1-3-25-19(26)18-12-15(13-24(18)14(2)21-25)29(27,28)23-10-8-22(9-11-23)17-7-5-4-6-16(17)20/h4-7,12-13H,3,8-11H2,1-2H3

InChI Key

LNGMSOAQKJRXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.09

Polar Surface Area

64.858

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P666-1608 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P666-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1608?
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What is the minimum amount of P666-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1608
  • 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 P666-1608 available by request