Y043-0872 Screening compound: (2S)-2-({3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}amino)propanoic acid

Y043-0872 Screening compound: (2S)-2-({3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}amino)propanoic acid
Y043-0872 Screening compound: (2S)-2-({3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0872
(2S)-2-({3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}amino)propanoic 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

Y043-0872

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

(2S)-2-({3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}amino)propanoic acid

IUPAC name

(2S)-2-{3-[5-(benzyloxy)-1H-indol-1-yl]propanamido}propanoic acid

SMILES

CC(C(O)=O)NC(CCn(cc1)c(cc2)c1cc2OCc1ccccc1)=O

InChI

InChI=1S/C21H22N2O4/c1-15(21(25)26)22-20(24)10-12-23-11-9-17-13-18(7-8-19(17)23)27-14-16-5-3-2-4-6-16/h2-9,11,13,15H,10,12,14H2,1H3,(H,22,24)(H,25,26)/t15-/m0/s1

InChI Key

DYQBDNMBJVXAAS-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

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

2.565

Distribution Coefficient, logD

-1.084

Water Solubility, LogSw

-2.83

Polar Surface Area

61.598

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

Y043-0872 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y043-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0872?
Check Price and Availability of Y043-0872, 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 Y043-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0872
  • 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 Y043-0872 available by request