V028-0521 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea

V028-0521 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea
V028-0521 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0521
3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea

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

V028-0521

Molecular Formula

C27H43N5O3S (C27 H43 N5 O3 S)

Compound Name

3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea

IUPAC name

3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-[2-(dimethylamino)ethyl]urea

SMILES

CC(C)(C)NC(N(CCN(C)C)Cc(n1C2CCCCC2)cnc1S(Cc1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C27H43N5O3S/c1-21-11-10-12-22(17-21)20-36(34,35)26-28-18-24(32(26)23-13-8-7-9-14-23)19-31(16-15-30(5)6)25(33)29-27(2,3)4/h10-12,17-18,23H,7-9,13-16,19-20H2,1-6H3,(H,29,33)

InChI Key

XMTITFABIDFSIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819690

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-4.22

Polar Surface Area

70.521

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.00

V028-0521 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0521?
Check Price and Availability of V028-0521, 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 V028-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0521
  • 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 V028-0521 available by request