F085-0598 Screening compound: 3-benzamido-4-(diethylamino)benzoic acid

F085-0598 Screening compound: 3-benzamido-4-(diethylamino)benzoic acid
F085-0598 Screening compound: 3-benzamido-4-(diethylamino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F085-0598
3-benzamido-4-(diethylamino)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

F085-0598

Molecular Formula

C18H20N2O3 (C18 H20 N2 O3)

Compound Name

3-benzamido-4-(diethylamino)benzoic acid

IUPAC name

3-benzamido-4-(diethylamino)benzoic acid

SMILES

CCN(CC)c(ccc(C(O)=O)c1)c1NC(c1ccccc1)=O

InChI

InChI=1S/C18H20N2O3/c1-3-20(4-2)16-11-10-14(18(22)23)12-15(16)19-17(21)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,19,21)(H,22,23)

InChI Key

PPYSMLOJRBSDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27101073

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-3.91

Polar Surface Area

53.475

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F085-0598 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with F085-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F085-0598?
Check Price and Availability of F085-0598, 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 F085-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F085-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F085-0598
  • 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 F085-0598 available by request