F731-0038 Screening compound: 3,4-dimethyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

F731-0038 Screening compound: 3,4-dimethyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide
F731-0038 Screening compound: 3,4-dimethyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0038
3,4-dimethyl-N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

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

F731-0038

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1C(Nc(cc1)cc2c1Oc(cccc1)c1N(C)C2=O)=O

InChI

InChI=1S/C23H20N2O3/c1-14-8-9-16(12-15(14)2)22(26)24-17-10-11-20-18(13-17)23(27)25(3)19-6-4-5-7-21(19)28-20/h4-13H,1-3H3,(H,24,26)

InChI Key

MEGCHSBLMFOMSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.41

Polar Surface Area

45.694

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F731-0038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Proline Kinase Library (2105 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0038?
Check Price and Availability of F731-0038, 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 F731-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0038
  • 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 F731-0038 available by request