V028-2949 Screening compound: 1-(4-methoxyphenyl)-3-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-3-(prop-2-en-1-yl)thiourea

V028-2949 Screening compound: 1-(4-methoxyphenyl)-3-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-3-(prop-2-en-1-yl)thiourea
V028-2949 Screening compound: 1-(4-methoxyphenyl)-3-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2949
1-(4-methoxyphenyl)-3-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-3-(prop-2-en-1-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

V028-2949

Molecular Formula

C27H34N4O3S2 (C27 H34 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cn1c(S(Cc2cc(C)ccc2)(=O)=O)ncc1CN(CC=C)C(Nc(cc1)ccc1OC)=S

InChI

InChI=1S/C27H34N4O3S2/c1-6-14-30(26(35)29-23-10-12-25(34-5)13-11-23)18-24-16-28-27(31(24)17-20(2)3)36(32,33)19-22-9-7-8-21(4)15-22/h6-13,15-16,20H,1,14,17-19H2,2-5H3,(H,29,35)

InChI Key

HJSFXJJJVSXSOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19822195

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.72

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

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-5.47

Polar Surface Area

58.906

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V028-2949 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 V028-2949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2949?
Check Price and Availability of V028-2949, 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 V028-2949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2949
  • 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 V028-2949 available by request