V028-2800 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

V028-2800 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea
V028-2800 Screening compound: 3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2800
3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)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

V028-2800

Molecular Formula

C25H38N4O4S (C25 H38 N4 O4 S)

Compound Name

3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

IUPAC name

3-tert-butyl-1-(cyclopropylmethyl)-1-({2-[(3-methoxyphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

SMILES

CC(C)Cn1c(S(Cc2cc(OC)ccc2)(=O)=O)ncc1CN(CC1CC1)C(NC(C)(C)C)=O

InChI

InChI=1S/C25H38N4O4S/c1-18(2)14-29-21(16-28(15-19-10-11-19)23(30)27-25(3,4)5)13-26-24(29)34(31,32)17-20-8-7-9-22(12-20)33-6/h7-9,12-13,18-19H,10-11,14-17H2,1-6H3,(H,27,30)

InChI Key

IORUAIQKFJDWCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819750

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.67

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

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.45

Polar Surface Area

74.168

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

V028-2800 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2800?
Check Price and Availability of V028-2800, 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 V028-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2800
  • 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 V028-2800 available by request