F731-0002 Screening compound: 3-cyclopentyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)propanamide

F731-0002 Screening compound: 3-cyclopentyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)propanamide
F731-0002 Screening compound: 3-cyclopentyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0002
3-cyclopentyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)propanamide

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

F731-0002

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

3-cyclopentyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)propanamide

IUPAC name

3-cyclopentyl-N-{9-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}propanamide

SMILES

CN(c(cccc1)c1Oc(cc1)c2cc1NC(CCC1CCCC1)=O)C2=O

InChI

InChI=1S/C22H24N2O3/c1-24-18-8-4-5-9-20(18)27-19-12-11-16(14-17(19)22(24)26)23-21(25)13-10-15-6-2-3-7-15/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13H2,1H3,(H,23,25)

InChI Key

IMGFFJGSMPJABG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.37

Polar Surface Area

46.038

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F731-0002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F731-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0002?
Check Price and Availability of F731-0002, 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 F731-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0002
  • 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 F731-0002 available by request