Y042-7895 Screening compound: (2S)-2-{[(4-benzhydrylpiperazino)carbonyl]amino}-3-phenylpropanoic acid

Y042-7895 Screening compound: (2S)-2-{[(4-benzhydrylpiperazino)carbonyl]amino}-3-phenylpropanoic acid
Y042-7895 Screening compound: (2S)-2-{[(4-benzhydrylpiperazino)carbonyl]amino}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7895
(2S)-2-{[(4-benzhydrylpiperazino)carbonyl]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

Y042-7895

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

(2S)-2-{[(4-benzhydrylpiperazino)carbonyl]amino}-3-phenylpropanoic acid

IUPAC name

(2S)-2-{[4-(diphenylmethyl)piperazine-1-carbonyl]amino}-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(N(CC1)CCN1C(c1ccccc1)c1ccccc1)=O)=O

InChI

InChI=1S/C27H29N3O3/c31-26(32)24(20-21-10-4-1-5-11-21)28-27(33)30-18-16-29(17-19-30)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H,28,33)(H,31,32)/t24-/m0/s1

InChI Key

FEHOYYCHUGPMJK-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

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

3.555

Distribution Coefficient, logD

0.312

Water Solubility, LogSw

-3.35

Polar Surface Area

57.630

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

Y042-7895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-7895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7895?
Check Price and Availability of Y042-7895, 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 Y042-7895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7895
  • 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 Y042-7895 available by request