V021-0418 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide

V021-0418 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide
V021-0418 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0418
N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide

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

V021-0418

Molecular Formula

C29H34F3N3O4S (C29 H34 F3 N3 O4 S)

Compound Name

N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)benzamide

SMILES

CC(C)Cn1c(S(Cc2c(C)cccc2)(=O)=O)ncc1CN(CC1OCCC1)C(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C29H34F3N3O4S/c1-20(2)16-35-25(15-33-28(35)40(37,38)19-23-8-5-4-7-21(23)3)17-34(18-26-9-6-14-39-26)27(36)22-10-12-24(13-11-22)29(30,31)32/h4-5,7-8,10-13,15,20,26H,6,9,14,16-19H2,1-3H3/t26-/m1/s1

InChI Key

UMYRIFYCNQKPJE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19820349

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.30

Polar Surface Area

65.517

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

V021-0418 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 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 V021-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0418?
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What is the minimum amount of V021-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0418
  • 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 V021-0418 available by request