P896-0018 Screening compound: 8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0018 Screening compound: 8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0018 Screening compound: 8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0018
8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-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

P896-0018

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

IUPAC name

8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-1-one

SMILES

O=C1NCCCn2c1cc(S(N(CC1)CCN1c1ncccc1)(=O)=O)c2

InChI

InChI=1S/C17H21N5O3S/c23-17-15-12-14(13-21(15)7-3-6-19-17)26(24,25)22-10-8-20(9-11-22)16-4-1-2-5-18-16/h1-2,4-5,12-13H,3,6-11H2,(H,19,23)

InChI Key

UKQSMGBTFWMZGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.842

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-2.36

Polar Surface Area

71.446

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P896-0018 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P896-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0018?
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What is the minimum amount of P896-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0018
  • 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 P896-0018 available by request