V010-8681 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

V010-8681 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide
V010-8681 Screening compound: N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8681
N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

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

V010-8681

Molecular Formula

C25H26FN3O3S (C25 H26 FN3 O3 S)

Compound Name

N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

IUPAC name

N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

SMILES

C=CCN(Cc(n1Cc2ccccc2)cnc1S(Cc(cccc1)c1F)(=O)=O)C(C1CC1)=O

InChI

InChI=1S/C25H26FN3O3S/c1-2-14-28(24(30)20-12-13-20)17-22-15-27-25(29(22)16-19-8-4-3-5-9-19)33(31,32)18-21-10-6-7-11-23(21)26/h2-11,15,20H,1,12-14,16-18H2

InChI Key

PGFAXISVBCZWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824481

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.19

Polar Surface Area

57.364

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V010-8681 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 V010-8681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8681?
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What is the minimum amount of V010-8681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8681
  • 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 V010-8681 available by request