Y044-0944 Screening compound: (2S)-2-{[2-(3-acetyl-1H-indol-1-yl)acetyl]amino}-3-phenylpropanoic acid

Y044-0944 Screening compound: (2S)-2-{[2-(3-acetyl-1H-indol-1-yl)acetyl]amino}-3-phenylpropanoic acid
Y044-0944 Screening compound: (2S)-2-{[2-(3-acetyl-1H-indol-1-yl)acetyl]amino}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0944
(2S)-2-{[2-(3-acetyl-1H-indol-1-yl)acetyl]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

Y044-0944

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14(24)17-12-23(19-10-6-5-9-16(17)19)13-20(25)22-18(21(26)27)11-15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(H,22,25)(H,26,27)/t18-/m0/s1

InChI Key

LWMVLYKZVQOGNL-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

-2.214

Water Solubility, LogSw

-2.11

Polar Surface Area

68.307

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

Y044-0944 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y044-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0944?
Check Price and Availability of Y044-0944, 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 Y044-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0944
  • 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 Y044-0944 available by request