Y044-1032 Screening compound: 2-[1-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]acetic acid

Y044-1032 Screening compound: 2-[1-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]acetic acid
Y044-1032 Screening compound: 2-[1-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-1032
2-[1-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]acetic 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

Y044-1032

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

2-[1-({[3-(4-methoxy-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexyl]acetic acid

IUPAC name

2-(1-{[3-(4-methoxy-1H-indol-1-yl)propanamido]methyl}cyclohexyl)acetic acid

SMILES

COc1cccc2c1ccn2CCC(NCC1(CC(O)=O)CCCCC1)=O

InChI

InChI=1S/C21H28N2O4/c1-27-18-7-5-6-17-16(18)8-12-23(17)13-9-19(24)22-15-21(14-20(25)26)10-3-2-4-11-21/h5-8,12H,2-4,9-11,13-15H2,1H3,(H,22,24)(H,25,26)

InChI Key

AONLWSDYLQRBBM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

-0.325

Water Solubility, LogSw

-2.65

Polar Surface Area

62.734

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

Y044-1032 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y044-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1032?
Check Price and Availability of Y044-1032, 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 Y044-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1032
  • 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 Y044-1032 available by request