Y042-8081 Screening compound: (2S)-2-[(2,3-dihydro-1H-indol-1-ylcarbonyl)amino]-4-methylpentanoic acid

Y042-8081 Screening compound: (2S)-2-[(2,3-dihydro-1H-indol-1-ylcarbonyl)amino]-4-methylpentanoic acid
Y042-8081 Screening compound: (2S)-2-[(2,3-dihydro-1H-indol-1-ylcarbonyl)amino]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8081
(2S)-2-[(2,3-dihydro-1H-indol-1-ylcarbonyl)amino]-4-methylpentanoic 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

Y042-8081

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

(2S)-2-[(2,3-dihydro-1H-indol-1-ylcarbonyl)amino]-4-methylpentanoic acid

IUPAC name

(2S)-2-[(23-dihydro-1H-indole-1-carbonyl)amino]-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C15H20N2O3/c1-10(2)9-12(14(18)19)16-15(20)17-8-7-11-5-3-4-6-13(11)17/h3-6,10,12H,7-9H2,1-2H3,(H,16,20)(H,18,19)/t12-/m0/s1

InChI Key

ZIGFLLFEYRMVGX-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

-1.376

Water Solubility, LogSw

-2.19

Polar Surface Area

54.370

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

Y042-8081 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y042-8081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8081?
Check Price and Availability of Y042-8081, 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 Y042-8081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8081
  • 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 Y042-8081 available by request