7776-0072 Screening compound: 5-{[(2-fluorophenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid

7776-0072 Screening compound: 5-{[(2-fluorophenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid
7776-0072 Screening compound: 5-{[(2-fluorophenyl)methyl]amino}-2-(morpholin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7776-0072
5-{[(2-fluorophenyl)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

7776-0072

Molecular Formula

C18H19FN2O3 (C18 H19 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc(cc1)NCc(cccc2)c2F)c1N1CCOCC1)=O

InChI

InChI=1S/C18H19FN2O3/c19-16-4-2-1-3-13(16)12-20-14-5-6-17(15(11-14)18(22)23)21-7-9-24-10-8-21/h1-6,11,20H,7-10,12H2,(H,22,23)

InChI Key

LQULHDZWJGXHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06602736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

0.974

Water Solubility, LogSw

-3.50

Polar Surface Area

49.941

Acid Dissociation Constant (pKa)

5.16

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

7776-0072 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7776-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7776-0072?
Check Price and Availability of 7776-0072, 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 7776-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7776-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7776-0072
  • 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 7776-0072 available by request