V021-1961 Screening compound: N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

V021-1961 Screening compound: N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
V021-1961 Screening compound: N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1961
N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

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

V021-1961

Molecular Formula

C27H27N3O7S (C27 H27 N3 O7 S)

Compound Name

N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-N-{[1-(2-methoxyethyl)-2-phenylmethanesulfonyl-1H-imidazol-5-yl]methyl}-2H-13-benzodioxole-5-carboxamide

SMILES

COCCn1c(S(Cc2ccccc2)(=O)=O)ncc1CN(Cc1ccco1)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H27N3O7S/c1-34-13-11-30-22(15-28-27(30)38(32,33)18-20-6-3-2-4-7-20)16-29(17-23-8-5-12-35-23)26(31)21-9-10-24-25(14-21)37-19-36-24/h2-10,12,14-15H,11,13,16-19H2,1H3

InChI Key

ZVVRUYSRSDXFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818864

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.27

Polar Surface Area

90.048

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V021-1961 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 V021-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1961?
Check Price and Availability of V021-1961, 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 V021-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1961
  • 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 V021-1961 available by request