V021-0466 Screening compound: 1-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea

V021-0466 Screening compound: 1-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea
V021-0466 Screening compound: 1-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-1-[(oxolan-2-yl)methyl]-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0466
1-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-1-[(oxolan-2-yl)methyl]-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

V021-0466

Molecular Formula

C25H38N4O3S2 (C25 H38 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cn1c(S(Cc2c(C)cccc2)(=O)=O)ncc1CN(CC1OCCC1)C(NC(C)C)=S

InChI

InChI=1S/C25H38N4O3S2/c1-18(2)14-29-22(15-28(24(33)27-19(3)4)16-23-11-8-12-32-23)13-26-25(29)34(30,31)17-21-10-7-6-9-20(21)5/h6-7,9-10,13,18-19,23H,8,11-12,14-17H2,1-5H3,(H,27,33)/t23-/m1/s1

InChI Key

XAVXKWFZKMNBEN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19826188

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.14

Polar Surface Area

60.335

Acid Dissociation Constant (pKa)

18.09

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V021-0466 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0466?
Check Price and Availability of V021-0466, 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 V021-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0466
  • 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 V021-0466 available by request