V020-3247 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-[(furan-2-yl)methyl]-4-methoxybenzamide

V020-3247 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-[(furan-2-yl)methyl]-4-methoxybenzamide
V020-3247 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-[(furan-2-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3247
N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-[(furan-2-yl)methyl]-4-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

V020-3247

Molecular Formula

C29H30FN3O6S (C29 H30 FN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N(Cc(n1CC2OCCC2)cnc1S(Cc(cccc1)c1F)(=O)=O)Cc1ccco1)=O

InChI

InChI=1S/C29H30FN3O6S/c1-37-24-12-10-21(11-13-24)28(34)32(18-25-7-4-14-38-25)17-23-16-31-29(33(23)19-26-8-5-15-39-26)40(35,36)20-22-6-2-3-9-27(22)30/h2-4,6-7,9-14,16,26H,5,8,15,17-20H2,1H3/t26-/m1/s1

InChI Key

PEQAHIDBUVVWAF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19819537

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-3.83

Polar Surface Area

80.538

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V020-3247 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 V020-3247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3247?
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What is the minimum amount of V020-3247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3247
  • 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 V020-3247 available by request