V025-2568 Screening compound: 1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea

V025-2568 Screening compound: 1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea
V025-2568 Screening compound: 1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2568
1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea

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

V025-2568

Molecular Formula

C27H36N4O2S2 (C27 H36 N4 O2 S2)

Compound Name

1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea

IUPAC name

1-({1-benzyl-2-[(4-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-(2-methylpropyl)-3-(propan-2-yl)thiourea

SMILES

CC(C)CN(Cc(n1Cc2ccccc2)cnc1S(Cc1ccc(C)cc1)(=O)=O)C(NC(C)C)=S

InChI

InChI=1S/C27H36N4O2S2/c1-20(2)16-30(26(34)29-21(3)4)18-25-15-28-27(31(25)17-23-9-7-6-8-10-23)35(32,33)19-24-13-11-22(5)12-14-24/h6-15,20-21H,16-19H2,1-5H3,(H,29,34)

InChI Key

CRKKTOWYNRWPLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819286

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.438

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.31

Polar Surface Area

51.680

Acid Dissociation Constant (pKa)

18.09

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V025-2568 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V025-2568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2568?
Check Price and Availability of V025-2568, 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 V025-2568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2568
  • 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 V025-2568 available by request