V027-0827 Screening compound: N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide

V027-0827 Screening compound: N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide
V027-0827 Screening compound: N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0827
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide

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

V027-0827

Molecular Formula

C28H33FN2O3S (C28 H33 FN2 O3 S)

Compound Name

N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-N-(2-methylbutyl)formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

CCC(C)CN(CC(N(Cc1ccc(C)s1)Cc(cc1)ccc1F)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C28H33FN2O3S/c1-5-20(2)16-31(28(33)23-9-13-25(34-4)14-10-23)19-27(32)30(18-26-15-6-21(3)35-26)17-22-7-11-24(29)12-8-22/h6-15,20H,5,16-19H2,1-4H3/t20-/m0/s1

InChI Key

HYEOKDODVMIBCH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19758526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.709

Distribution Coefficient, logD

5.709

Water Solubility, LogSw

-5.41

Polar Surface Area

40.695

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V027-0827 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0827?
Check Price and Availability of V027-0827, 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 V027-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0827
  • 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 V027-0827 available by request