F085-0380 Screening compound: 4-[benzyl(butyl)amino]-3-(2-methylbenzamido)benzoic acid

F085-0380 Screening compound: 4-[benzyl(butyl)amino]-3-(2-methylbenzamido)benzoic acid
F085-0380 Screening compound: 4-[benzyl(butyl)amino]-3-(2-methylbenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F085-0380
4-[benzyl(butyl)amino]-3-(2-methylbenzamido)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

F085-0380

Molecular Formula

C26H28N2O3 (C26 H28 N2 O3)

Compound Name

4-[benzyl(butyl)amino]-3-(2-methylbenzamido)benzoic acid

IUPAC name

4-[benzyl(butyl)amino]-3-(2-methylbenzamido)benzoic acid

SMILES

CCCCN(Cc1ccccc1)c(ccc(C(O)=O)c1)c1NC(c1c(C)cccc1)=O

InChI

InChI=1S/C26H28N2O3/c1-3-4-16-28(18-20-11-6-5-7-12-20)24-15-14-21(26(30)31)17-23(24)27-25(29)22-13-9-8-10-19(22)2/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,29)(H,30,31)

InChI Key

YJZMWHFSJKBDME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100991

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-5.24

Polar Surface Area

53.733

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F085-0380 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F085-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F085-0380?
Check Price and Availability of F085-0380, 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 F085-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F085-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F085-0380
  • 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 F085-0380 available by request