V024-2825 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-(propan-2-yl)thiourea

V024-2825 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-(propan-2-yl)thiourea
V024-2825 Screening compound: 1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-(propan-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-2825
1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-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

V024-2825

Molecular Formula

C21H30N4O3S2 (C21 H30 N4 O3 S2)

Compound Name

1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-(propan-2-yl)thiourea

IUPAC name

1-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-(propan-2-yl)thiourea

SMILES

CC(C)NC(N(CC=C)Cc(n1CCOC)cnc1S(Cc1ccccc1)(=O)=O)=S

InChI

InChI=1S/C21H30N4O3S2/c1-5-11-24(20(29)23-17(2)3)15-19-14-22-21(25(19)12-13-28-4)30(26,27)16-18-9-7-6-8-10-18/h5-10,14,17H,1,11-13,15-16H2,2-4H3,(H,23,29)

InChI Key

OITJAVBZPJVHKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828313

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.09

Polar Surface Area

60.251

Acid Dissociation Constant (pKa)

18.01

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V024-2825 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 V024-2825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-2825?
Check Price and Availability of V024-2825, 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 V024-2825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-2825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-2825
  • 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 V024-2825 available by request