7776-0048 Screening compound: 5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

7776-0048 Screening compound: 5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid
7776-0048 Screening compound: 5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7776-0048
5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

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

7776-0048

Molecular Formula

C25H25FN2O4 (C25 H25 FN2 O4)

Compound Name

5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

IUPAC name

5-[({3-[(2-fluorophenyl)methoxy]phenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

SMILES

OC(c(cc(cc1)NCc2cccc(OCc(cccc3)c3F)c2)c1N1CCOCC1)=O

InChI

InChI=1S/C25H25FN2O4/c26-23-7-2-1-5-19(23)17-32-21-6-3-4-18(14-21)16-27-20-8-9-24(22(15-20)25(29)30)28-10-12-31-13-11-28/h1-9,14-15,27H,10-13,16-17H2,(H,29,30)

InChI Key

DBQHMZWONUHVBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06605795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-4.32

Polar Surface Area

57.169

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

7776-0048 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7776-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7776-0048?
Check Price and Availability of 7776-0048, 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 7776-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7776-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7776-0048
  • 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 7776-0048 available by request