F085-0157 Screening compound: 3-(4-chlorobenzamido)-4-(pyrrolidin-1-yl)benzoic acid

F085-0157 Screening compound: 3-(4-chlorobenzamido)-4-(pyrrolidin-1-yl)benzoic acid
F085-0157 Screening compound: 3-(4-chlorobenzamido)-4-(pyrrolidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F085-0157
3-(4-chlorobenzamido)-4-(pyrrolidin-1-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

F085-0157

Molecular Formula

C18H17ClN2O3 (C18 H17 ClN2 O3)

Compound Name

3-(4-chlorobenzamido)-4-(pyrrolidin-1-yl)benzoic acid

IUPAC name

3-(4-chlorobenzamido)-4-(pyrrolidin-1-yl)benzoic acid

SMILES

OC(c(cc1)cc(NC(c(cc2)ccc2Cl)=O)c1N1CCCC1)=O

InChI

InChI=1S/C18H17ClN2O3/c19-14-6-3-12(4-7-14)17(22)20-15-11-13(18(23)24)5-8-16(15)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)(H,23,24)

InChI Key

UXVOUYRCPVFTMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-4.54

Polar Surface Area

54.557

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F085-0157 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with F085-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F085-0157?
Check Price and Availability of F085-0157, 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 F085-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F085-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F085-0157
  • 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 F085-0157 available by request