P896-0320 Screening compound: N-(3,5-dimethoxyphenyl)-2-methyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0320 Screening compound: N-(3,5-dimethoxyphenyl)-2-methyl-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0320 Screening compound: N-(3,5-dimethoxyphenyl)-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 P896-0320
N-(3,5-dimethoxyphenyl)-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

P896-0320

Molecular Formula

C17H21N3O5S (C17 H21 N3 O5 S)

Compound Name

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

IUPAC name

N-(35-dimethoxyphenyl)-2-methyl-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CN(CCCn1c2cc(S(Nc3cc(OC)cc(OC)c3)(=O)=O)c1)C2=O

InChI

InChI=1S/C17H21N3O5S/c1-19-5-4-6-20-11-15(10-16(20)17(19)21)26(22,23)18-12-7-13(24-2)9-14(8-12)25-3/h7-11,18H,4-6H2,1-3H3

InChI Key

ARWJBGRLZSGVSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

0.910

Water Solubility, LogSw

-2.26

Polar Surface Area

75.033

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

P896-0320 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 P896-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0320?
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What is the minimum amount of P896-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0320
  • 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 P896-0320 available by request