F731-0072 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isopropoxybenzamide

F731-0072 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isopropoxybenzamide
F731-0072 Screening compound: N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isopropoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0072
N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isopropoxybenzamide

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

F731-0072

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

N~1~-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-isopropoxybenzamide

IUPAC name

N-{9-ethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}-4-(propan-2-yloxy)benzamide

SMILES

CCN(c(cccc1)c1Oc(cc1)c2cc1NC(c(cc1)ccc1OC(C)C)=O)C2=O

InChI

InChI=1S/C25H24N2O4/c1-4-27-21-7-5-6-8-23(21)31-22-14-11-18(15-20(22)25(27)29)26-24(28)17-9-12-19(13-10-17)30-16(2)3/h5-16H,4H2,1-3H3,(H,26,28)

InChI Key

BNYJKLOFMMOGDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-4.43

Polar Surface Area

52.455

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F731-0072 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0072?
Check Price and Availability of F731-0072, 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 F731-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0072
  • 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 F731-0072 available by request