P896-0440 Screening compound: 2-methyl-8-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0440 Screening compound: 2-methyl-8-{[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0440 Screening compound: 2-methyl-8-{[4-(2-methylphenyl)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 P896-0440
2-methyl-8-{[4-(2-methylphenyl)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

P896-0440

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(CC1)CCN1S(c1cn(CCCN(C)C2=O)c2c1)(=O)=O

InChI

InChI=1S/C20H26N4O3S/c1-16-6-3-4-7-18(16)22-10-12-24(13-11-22)28(26,27)17-14-19-20(25)21(2)8-5-9-23(19)15-17/h3-4,6-7,14-15H,5,8-13H2,1-2H3

InChI Key

MOJSRKSJQRCKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-2.39

Polar Surface Area

53.966

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

P896-0440 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P896-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0440?
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What is the minimum amount of P896-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0440
  • 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 P896-0440 available by request