P896-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-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 P896-0109
N-(4-chloro-2-fluorophenyl)-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

P896-0109

Molecular Formula

C14H13ClFN3O3S (C14 H13 ClFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1NCCCn2c1cc(S(Nc(ccc(Cl)c1)c1F)(=O)=O)c2

InChI

InChI=1S/C14H13ClFN3O3S/c15-9-2-3-12(11(16)6-9)18-23(21,22)10-7-13-14(20)17-4-1-5-19(13)8-10/h2-3,6-8,18H,1,4-5H2,(H,17,20)

InChI Key

GVYANKIIEAHLBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

0.713

Water Solubility, LogSw

-3.01

Polar Surface Area

67.915

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

P896-0109 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P896-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0109?
Check Price and Availability of P896-0109, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P896-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0109
  • 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 P896-0109 available by request