V020-1428 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)acetamide

V020-1428 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)acetamide
V020-1428 Screening compound: 2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1428
2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)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

V020-1428

Molecular Formula

C22H34N4O2S (C22 H34 N4 O2 S)

Compound Name

2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)acetamide

IUPAC name

2-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-[(4-methylphenyl)formamido]-N-(2-methylpropyl)acetamide

SMILES

CCNC(N(CC1)CCC1C(C(NCC(C)C)=O)NC(c1ccc(C)cc1)=O)=S

InChI

InChI=1S/C22H34N4O2S/c1-5-23-22(29)26-12-10-17(11-13-26)19(21(28)24-14-15(2)3)25-20(27)18-8-6-16(4)7-9-18/h6-9,15,17,19H,5,10-14H2,1-4H3,(H,23,29)(H,24,28)(H,25,27)/t19-/m0/s1

InChI Key

HHMWXVTWICCNBT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19875965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.37

Polar Surface Area

60.807

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

V020-1428 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 V020-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1428?
Check Price and Availability of V020-1428, 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 V020-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1428
  • 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 V020-1428 available by request