V024-2053 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide

V024-2053 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide
V024-2053 Screening compound: N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-2053
N-({2-[(2-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-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

V024-2053

Molecular Formula

C23H28FN3O4S (C23 H28 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(Cc(n1CC2OCCC2)cnc1S(Cc(cccc1)c1F)(=O)=O)C(C1CC1)=O

InChI

InChI=1S/C23H28FN3O4S/c1-2-11-26(22(28)17-9-10-17)14-19-13-25-23(27(19)15-20-7-5-12-31-20)32(29,30)16-18-6-3-4-8-21(18)24/h2-4,6,8,13,17,20H,1,5,7,9-12,14-16H2/t20-/m1/s1

InChI Key

NDBNBIXAYJDAEX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19815848

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-2.99

Polar Surface Area

66.018

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V024-2053 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 V024-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-2053?
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What is the minimum amount of V024-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-2053
  • 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 V024-2053 available by request