P896-0391 Screening compound: N-(2-fluoro-5-methylphenyl)-2-methyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0391 Screening compound: N-(2-fluoro-5-methylphenyl)-2-methyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0391 Screening compound: N-(2-fluoro-5-methylphenyl)-2-methyl-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 P896-0391
N-(2-fluoro-5-methylphenyl)-2-methyl-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

P896-0391

Molecular Formula

C16H18FN3O3S (C16 H18 FN3 O3 S)

Compound Name

N-(2-fluoro-5-methylphenyl)-2-methyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

IUPAC name

N-(2-fluoro-5-methylphenyl)-2-methyl-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

Cc(cc1)cc(NS(c2cn(CCCN(C)C3=O)c3c2)(=O)=O)c1F

InChI

InChI=1S/C16H18FN3O3S/c1-11-4-5-13(17)14(8-11)18-24(22,23)12-9-15-16(21)19(2)6-3-7-20(15)10-12/h4-5,8-10,18H,3,6-7H2,1-2H3

InChI Key

SRRXNCNTPXXZNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.296

Distribution Coefficient, logD

1.231

Water Solubility, LogSw

-2.50

Polar Surface Area

59.248

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P896-0391 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P896-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0391?
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What is the minimum amount of P896-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0391
  • 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 P896-0391 available by request