Y043-0866 Screening compound: (2S)-2-{[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}-3-phenylpropanoic acid

Y043-0866 Screening compound: (2S)-2-{[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}-3-phenylpropanoic acid
Y043-0866 Screening compound: (2S)-2-{[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0866
(2S)-2-{[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}-3-phenylpropanoic 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

Y043-0866

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

(2S)-2-{[3-(3-acetyl-1H-indol-1-yl)propanoyl]amino}-3-phenylpropanoic acid

IUPAC name

(2S)-2-[3-(3-acetyl-1H-indol-1-yl)propanamido]-3-phenylpropanoic acid

SMILES

CC(c1cn(CCC(NC(Cc2ccccc2)C(O)=O)=O)c2c1cccc2)=O

InChI

InChI=1S/C22H22N2O4/c1-15(25)18-14-24(20-10-6-5-9-17(18)20)12-11-21(26)23-19(22(27)28)13-16-7-3-2-4-8-16/h2-10,14,19H,11-13H2,1H3,(H,23,26)(H,27,28)/t19-/m0/s1

InChI Key

ZNUSRNITTUOLSF-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.715

Distribution Coefficient, logD

-1.875

Water Solubility, LogSw

-2.30

Polar Surface Area

68.286

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

Y043-0866 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0866?
Check Price and Availability of Y043-0866, 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 Y043-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0866
  • 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 Y043-0866 available by request