P896-0942 Screening compound: N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0942 Screening compound: N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0942 Screening compound: N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0942
N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-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

P896-0942

Molecular Formula

C21H28N4O4S (C21 H28 N4 O4 S)

Compound Name

N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

IUPAC name

N-[4-(morpholin-4-yl)phenyl]-1-oxo-2-(propan-2-yl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CC(C)N(CCCn1c2cc(S(Nc(cc3)ccc3N3CCOCC3)(=O)=O)c1)C2=O

InChI

InChI=1S/C21H28N4O4S/c1-16(2)25-9-3-8-24-15-19(14-20(24)21(25)26)30(27,28)22-17-4-6-18(7-5-17)23-10-12-29-13-11-23/h4-7,14-16,22H,3,8-13H2,1-2H3

InChI Key

BOWJFYCZFYPNOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.942

Water Solubility, LogSw

-2.75

Polar Surface Area

71.478

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P896-0942 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P896-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0942?
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What is the minimum amount of P896-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0942
  • 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 P896-0942 available by request