Y040-3094 Screening compound: 4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic acid

Y040-3094 Screening compound: 4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic acid
Y040-3094 Screening compound: 4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3094
4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic 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

Y040-3094

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-{[(1H-indol-2-yl)formamido]methyl}cyclohexane-1-carboxylic acid

SMILES

OC([C@H]1CC[C@H](CNC(c2cc(cccc3)c3[nH]2)=O)CC1)=O

InChI

InChI=1S/C17H20N2O3/c20-16(15-9-13-3-1-2-4-14(13)19-15)18-10-11-5-7-12(8-6-11)17(21)22/h1-4,9,11-12,19H,5-8,10H2,(H,18,20)(H,21,22)

InChI Key

NUBMWSNTHYFSAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12925898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

0.123

Water Solubility, LogSw

-3.09

Polar Surface Area

62.601

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y040-3094 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

Indole Derivatives (10091 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-3094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3094?
Check Price and Availability of Y040-3094, 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 Y040-3094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3094
  • 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 Y040-3094 available by request