V028-0401 Screening compound: N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

V028-0401 Screening compound: N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetamide
V028-0401 Screening compound: N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0401
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]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

V028-0401

Molecular Formula

C30H28Cl2N4O3 (C30 H28 Cl2 N4 O3)

Compound Name

N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

IUPAC name

N-[4-(4-chlorophenyl)-1-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-(2-chlorophenyl)-N-[(oxolan-2-yl)methyl]formamido]acetamide

SMILES

Cc(cc1)ccc1-n1c(NC(CN(CC2OCCC2)C(c(cccc2)c2Cl)=O)=O)nc(-c(cc2)ccc2Cl)c1

InChI

InChI=1S/C30H28Cl2N4O3/c1-20-8-14-23(15-9-20)36-18-27(21-10-12-22(31)13-11-21)33-30(36)34-28(37)19-35(17-24-5-4-16-39-24)29(38)25-6-2-3-7-26(25)32/h2-3,6-15,18,24H,4-5,16-17,19H2,1H3,(H,33,34,37)/t24-/m1/s1

InChI Key

MFPQTZOBRSUIAK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19832804

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.081

Water Solubility, LogSw

-5.82

Polar Surface Area

61.047

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.33

V028-0401 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V028-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0401?
Check Price and Availability of V028-0401, 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 V028-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0401
  • 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 V028-0401 available by request