P666-1528 Screening compound: 7-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

P666-1528 Screening compound: 7-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-2-ethyl-4-methyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
P666-1528 Screening compound: 7-{[4-(4-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 P666-1528
7-{[4-(4-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

P666-1528

Molecular Formula

C19H22ClN5O3S (C19 H22 ClN5 O3 S)

Compound Name

7-{[4-(4-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-(4-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(cc1)ccc1Cl)(=O)=O)c2

InChI

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

InChI Key

QQQSWCXNLGBJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610500

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

2.615

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.17

Polar Surface Area

65.159

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

P666-1528 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P666-1528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P666-1528?
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What is the minimum amount of P666-1528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P666-1528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P666-1528
  • 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 P666-1528 available by request