P896-0628 Screening compound: N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0628 Screening compound: N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0628 Screening compound: N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0628
N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-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

P896-0628

Molecular Formula

C16H17ClFN3O3S (C16 H17 ClFN3 O3 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-ethyl-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CCN(CCCn1c2cc(S(Nc(ccc(Cl)c3)c3F)(=O)=O)c1)C2=O

InChI

InChI=1S/C16H17ClFN3O3S/c1-2-20-6-3-7-21-10-12(9-15(21)16(20)22)25(23,24)19-14-5-4-11(17)8-13(14)18/h4-5,8-10,19H,2-3,6-7H2,1H3

InChI Key

INDWIGACNYORHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-3.51

Polar Surface Area

59.257

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P896-0628 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P896-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0628?
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What is the minimum amount of P896-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0628
  • 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 P896-0628 available by request