V027-3054 Screening compound: N-{[1-ALLYL-2-(BENZYLSULFONYL)-1H-IMIDAZOL-5-YL]METHYL}-N-CYCLOPROPYL-N'-(4-METHYLPHENYL)UREA

V027-3054 Screening compound: N-{[1-ALLYL-2-(BENZYLSULFONYL)-1H-IMIDAZOL-5-YL]METHYL}-N-CYCLOPROPYL-N'-(4-METHYLPHENYL)UREA
V027-3054 Screening compound: N-{[1-ALLYL-2-(BENZYLSULFONYL)-1H-IMIDAZOL-5-YL]METHYL}-N-CYCLOPROPYL-N'-(4-METHYLPHENYL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3054
N-{[1-ALLYL-2-(BENZYLSULFONYL)-1H-IMIDAZOL-5-YL]METHYL}-N-CYCLOPROPYL-N'-(4-METHYLPHENYL)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

V027-3054

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

N-{[1-ALLYL-2-(BENZYLSULFONYL)-1H-IMIDAZOL-5-YL]METHYL}-N-CYCLOPROPYL-N'-(4-METHYLPHENYL)UREA

IUPAC name

n/a

SMILES

Cc(cc1)ccc1NC(N(Cc(n1CC=C)cnc1S(Cc1ccccc1)(=O)=O)C1CC1)=O

InChI

InChI=1S/C25H28N4O3S/c1-3-15-28-23(16-26-25(28)33(31,32)18-20-7-5-4-6-8-20)17-29(22-13-14-22)24(30)27-21-11-9-19(2)10-12-21/h3-12,16,22H,1,13-15,17-18H2,2H3,(H,27,30)

InChI Key

SJPXZMBBWFGXHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819347

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.08

Polar Surface Area

65.237

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V027-3054 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V027-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3054?
Check Price and Availability of V027-3054, 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 V027-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3054
  • 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 V027-3054 available by request