V018-0231 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-ethylurea

V018-0231 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-ethylurea
V018-0231 Screening compound: 3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0231
3-tert-butyl-1-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-1-ethylurea

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

V018-0231

Molecular Formula

C25H38N4O3S (C25 H38 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H38N4O3S/c1-6-28(23(30)27-25(3,4)5)17-22-16-26-24(29(22)21-13-8-7-9-14-21)33(31,32)18-20-12-10-11-19(2)15-20/h10-12,15-16,21H,6-9,13-14,17-18H2,1-5H3,(H,27,30)

InChI Key

GFJBXLAGRSALIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-4.80

Polar Surface Area

66.402

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

V018-0231 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 V018-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0231?
Check Price and Availability of V018-0231, 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 V018-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0231
  • 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 V018-0231 available by request