V028-2911 Screening compound: N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide

V028-2911 Screening compound: N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide
V028-2911 Screening compound: N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2911
N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide

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

V028-2911

Molecular Formula

C26H30FN3O5S (C26 H30 FN3 O5 S)

Compound Name

N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide

IUPAC name

N-ethyl-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-3-methoxybenzamide

SMILES

CCN(Cc(n1CC2OCCC2)cnc1S(Cc(cc1)ccc1F)(=O)=O)C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C26H30FN3O5S/c1-3-29(25(31)20-6-4-7-23(14-20)34-2)16-22-15-28-26(30(22)17-24-8-5-13-35-24)36(32,33)18-19-9-11-21(27)12-10-19/h4,6-7,9-12,14-15,24H,3,5,8,13,16-18H2,1-2H3/t24-/m1/s1

InChI Key

PVUWZYMUXMPPML-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19815906

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-2.77

Polar Surface Area

72.785

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V028-2911 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 V028-2911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2911?
Check Price and Availability of V028-2911, 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 V028-2911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2911
  • 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 V028-2911 available by request