P896-0649 Screening compound: 2-ethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

P896-0649 Screening compound: 2-ethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
P896-0649 Screening compound: 2-ethyl-N-[(4-methylphenyl)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 P896-0649
2-ethyl-N-[(4-methylphenyl)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

P896-0649

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

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

IUPAC name

2-ethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H2H3H4H5H-pyrrolo[12-a][14]diazepine-8-sulfonamide

SMILES

CCN(CCCn1c2cc(S(NCc3ccc(C)cc3)(=O)=O)c1)C2=O

InChI

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

InChI Key

KMPJQEDVQVXMIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.272

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.85

Polar Surface Area

61.064

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P896-0649 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P896-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0649?
Check Price and Availability of P896-0649, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P896-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0649
  • 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 P896-0649 available by request