Y042-8066 Screening compound: methyl (2S)-2-[({4-[bis(4-fluorophenyl)methyl]piperazino}carbonyl)amino]-3-phenylpropanoate

Y042-8066 Screening compound: methyl (2S)-2-[({4-[bis(4-fluorophenyl)methyl]piperazino}carbonyl)amino]-3-phenylpropanoate
Y042-8066 Screening compound: methyl (2S)-2-[({4-[bis(4-fluorophenyl)methyl]piperazino}carbonyl)amino]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8066
methyl (2S)-2-[({4-[bis(4-fluorophenyl)methyl]piperazino}carbonyl)amino]-3-phenylpropanoate

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

Y042-8066

Molecular Formula

C28H29F2N3O3 (C28 H29 F2 N3 O3)

Compound Name

methyl (2S)-2-[({4-[bis(4-fluorophenyl)methyl]piperazino}carbonyl)amino]-3-phenylpropanoate

IUPAC name

methyl (2S)-2-({4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl}amino)-3-phenylpropanoate

SMILES

COC(C(Cc1ccccc1)NC(N(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C28H29F2N3O3/c1-36-27(34)25(19-20-5-3-2-4-6-20)31-28(35)33-17-15-32(16-18-33)26(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2-14,25-26H,15-19H2,1H3,(H,31,35)/t25-/m0/s1

InChI Key

UHDAASJMMFQMAG-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.32

Polar Surface Area

50.395

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

Y042-8066 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-8066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8066?
Check Price and Availability of Y042-8066, 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 Y042-8066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8066
  • 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 Y042-8066 available by request