V017-9751 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

V017-9751 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide
V017-9751 Screening compound: N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9751
N-({2-[(2-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-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

V017-9751

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cn1c(S(Cc2c(C)cccc2)(=O)=O)ncc1CN(CC=C)C(C1CC1)=O

InChI

InChI=1S/C23H31N3O3S/c1-5-12-25(22(27)19-10-11-19)15-21-13-24-23(26(21)14-17(2)3)30(28,29)16-20-9-7-6-8-18(20)4/h5-9,13,17,19H,1,10-12,14-16H2,2-4H3

InChI Key

BTEYOQAIDNALQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824439

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.58

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

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.12

Polar Surface Area

57.636

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V017-9751 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 V017-9751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9751?
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What is the minimum amount of V017-9751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9751
  • 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 V017-9751 available by request