V026-2098 Screening compound: N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V026-2098 Screening compound: N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V026-2098 Screening compound: N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2098
N-({1-benzyl-2-[(2-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-[2-(morpholin-4-yl)ethyl]-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

V026-2098

Molecular Formula

C33H35F3N4O4S (C33 H35 F3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CS(c2ncc(CN(CCN3CCOCC3)C(c3ccc(C(F)(F)F)cc3)=O)n2Cc2ccccc2)(=O)=O)cccc1

InChI

InChI=1S/C33H35F3N4O4S/c1-25-7-5-6-10-28(25)24-45(42,43)32-37-21-30(40(32)22-26-8-3-2-4-9-26)23-39(16-15-38-17-19-44-20-18-38)31(41)27-11-13-29(14-12-27)33(34,35)36/h2-14,21H,15-20,22-24H2,1H3

InChI Key

YIYOVXDUVDNFTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824639

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

640.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-4.91

Polar Surface Area

68.460

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V026-2098 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V026-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2098?
Check Price and Availability of V026-2098, 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 V026-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2098
  • 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 V026-2098 available by request