P896-0336 Screening compound: N~8~-ethyl-2-methyl-N~8~-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0336 Screening compound: N~8~-ethyl-2-methyl-N~8~-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0336 Screening compound: N~8~-ethyl-2-methyl-N~8~-(3-methylphenyl)-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 P896-0336
N~8~-ethyl-2-methyl-N~8~-(3-methylphenyl)-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

P896-0336

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-ethyl-2-methyl-N-(3-methylphenyl)-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CCN(c1cc(C)ccc1)S(c1cn(CCCN(C)C2=O)c2c1)(=O)=O

InChI

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

InChI Key

OPCXGSKFMNGOOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.823

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.43

Polar Surface Area

50.846

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

P896-0336 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 P896-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0336?
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What is the minimum amount of P896-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0336
  • 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 P896-0336 available by request