V027-2495 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

V027-2495 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea
V027-2495 Screening compound: 3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2495
3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)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

V027-2495

Molecular Formula

C22H34N4O4S (C22 H34 N4 O4 S)

Compound Name

3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

IUPAC name

3-ethyl-1-(2-methoxyethyl)-1-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)urea

SMILES

CCNC(N(CCOC)Cc(n1CC(C)C)cnc1S(Cc1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C22H34N4O4S/c1-6-23-21(27)25(10-11-30-5)15-20-13-24-22(26(20)14-17(2)3)31(28,29)16-19-9-7-8-18(4)12-19/h7-9,12-13,17H,6,10-11,14-16H2,1-5H3,(H,23,27)

InChI Key

LBFFWBUBKLPIJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817362

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.6

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

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.42

Polar Surface Area

75.495

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V027-2495 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 V027-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2495?
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What is the minimum amount of V027-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2495
  • 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 V027-2495 available by request