P896-0576 Screening compound: N-cycloheptyl-2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0576 Screening compound: N-cycloheptyl-2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0576 Screening compound: N-cycloheptyl-2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0576
N-cycloheptyl-2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

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

P896-0576

Molecular Formula

C17H27N3O3S (C17 H27 N3 O3 S)

Compound Name

N-cycloheptyl-2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

IUPAC name

n/a

SMILES

CCN(CCCn1c2cc(S(NC3CCCCCC3)(=O)=O)c1)C2=O

InChI

InChI=1S/C17H27N3O3S/c1-2-19-10-7-11-20-13-15(12-16(20)17(19)21)24(22,23)18-14-8-5-3-4-6-9-14/h12-14,18H,2-11H2,1H3

InChI Key

SBPKKIPBQOTFSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.27

Polar Surface Area

61.333

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

P896-0576 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 P896-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0576?
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What is the minimum amount of P896-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0576
  • 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 P896-0576 available by request