7776-0039 Screening compound: 5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

7776-0039 Screening compound: 5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid
7776-0039 Screening compound: 5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7776-0039
5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}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

7776-0039

Molecular Formula

C26H27FN2O5 (C26 H27 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1CNc(cc2)cc(C(O)=O)c2N2CCOCC2)c1OCc(cccc1)c1F

InChI

InChI=1S/C26H27FN2O5/c1-32-24-8-4-6-18(25(24)34-17-19-5-2-3-7-22(19)27)16-28-20-9-10-23(21(15-20)26(30)31)29-11-13-33-14-12-29/h2-10,15,28H,11-14,16-17H2,1H3,(H,30,31)

InChI Key

AEZBSRKJPWRQMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-4.39

Polar Surface Area

64.972

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

7776-0039 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7776-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7776-0039?
Check Price and Availability of 7776-0039, 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 7776-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7776-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7776-0039
  • 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 7776-0039 available by request