P896-0581 Screening compound: N-(2,3-dimethylphenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0581 Screening compound: N-(2,3-dimethylphenyl)-2-ethyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0581 Screening compound: N-(2,3-dimethylphenyl)-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 P896-0581
N-(2,3-dimethylphenyl)-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

P896-0581

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-ethyl-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CCN(CCCn1c2cc(S(Nc3c(C)c(C)ccc3)(=O)=O)c1)C2=O

InChI

InChI=1S/C18H23N3O3S/c1-4-20-9-6-10-21-12-15(11-17(21)18(20)22)25(23,24)19-16-8-5-7-13(2)14(16)3/h5,7-8,11-12,19H,4,6,9-10H2,1-3H3

InChI Key

VPGNFTHNVILCTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

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

2.695

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.02

Polar Surface Area

59.257

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P896-0581 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P896-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0581?
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What is the minimum amount of P896-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0581
  • 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 P896-0581 available by request