V021-0474 Screening compound: 1-(3-chlorophenyl)-3-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea

V021-0474 Screening compound: 1-(3-chlorophenyl)-3-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea
V021-0474 Screening compound: 1-(3-chlorophenyl)-3-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0474
1-(3-chlorophenyl)-3-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-3-(prop-2-en-1-yl)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

V021-0474

Molecular Formula

C24H27ClN4O4S (C24 H27 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCn1c(S(Cc2ccccc2)(=O)=O)ncc1CN(CC=C)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C24H27ClN4O4S/c1-3-12-28(23(30)27-21-11-7-10-20(25)15-21)17-22-16-26-24(29(22)13-14-33-2)34(31,32)18-19-8-5-4-6-9-19/h3-11,15-16H,1,12-14,17-18H2,2H3,(H,27,30)

InChI Key

HIZGDSKSYDDFQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824000

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.09

Polar Surface Area

74.254

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V021-0474 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 V021-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0474?
Check Price and Availability of V021-0474, 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 V021-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0474
  • 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 V021-0474 available by request