V017-3946 Screening compound: N-(CYCLOPROPYLMETHYL)-2-FLUORO-N-{[1-(2-METHYLPROPYL)-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}BENZAMIDE

V017-3946 Screening compound: N-(CYCLOPROPYLMETHYL)-2-FLUORO-N-{[1-(2-METHYLPROPYL)-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}BENZAMIDE
V017-3946 Screening compound: N-(CYCLOPROPYLMETHYL)-2-FLUORO-N-{[1-(2-METHYLPROPYL)-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3946
N-(CYCLOPROPYLMETHYL)-2-FLUORO-N-{[1-(2-METHYLPROPYL)-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}BENZAMIDE

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

V017-3946

Molecular Formula

C26H30FN3O3S (C26 H30 FN3 O3 S)

Compound Name

N-(CYCLOPROPYLMETHYL)-2-FLUORO-N-{[1-(2-METHYLPROPYL)-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL]METHYL}BENZAMIDE

IUPAC name

n/a

SMILES

CC(C)Cn1c(S(Cc2ccccc2)(=O)=O)ncc1CN(CC1CC1)C(c(cccc1)c1F)=O

InChI

InChI=1S/C26H30FN3O3S/c1-19(2)15-30-22(14-28-26(30)34(32,33)18-21-8-4-3-5-9-21)17-29(16-20-12-13-20)25(31)23-10-6-7-11-24(23)27/h3-11,14,19-20H,12-13,15-18H2,1-2H3

InChI Key

CJKKOJNMWOTPGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818620

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.61

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

4.501

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.31

Polar Surface Area

57.386

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V017-3946 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 V017-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3946?
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What is the minimum amount of V017-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3946
  • 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 V017-3946 available by request