Y043-0536 Screening compound: trans-4-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

Y043-0536 Screening compound: trans-4-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid
Y043-0536 Screening compound: trans-4-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0536
trans-4-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic 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

Y043-0536

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

trans-4-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

IUPAC name

(1r4r)-4-{[3-(4-methoxy-1H-indol-1-yl)propanamido]methyl}cyclohexane-1-carboxylic acid

SMILES

COc1cccc2c1ccn2CCC(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O

InChI

InChI=1S/C20H26N2O4/c1-26-18-4-2-3-17-16(18)9-11-22(17)12-10-19(23)21-13-14-5-7-15(8-6-14)20(24)25/h2-4,9,11,14-15H,5-8,10,12-13H2,1H3,(H,21,23)(H,24,25)

InChI Key

JCRTWKHTJDZBMT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

-0.275

Water Solubility, LogSw

-2.53

Polar Surface Area

62.758

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y043-0536 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0536?
Check Price and Availability of Y043-0536, 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 Y043-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0536
  • 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 Y043-0536 available by request