V012-6572 Screening compound: N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-2-methylpropanamide

V012-6572 Screening compound: N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-2-methylpropanamide
V012-6572 Screening compound: N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6572
N-(cyclopropylmethyl)-N-({2-[(4-fluorophenyl)methanesulfonyl]-1-[(oxolan-2-yl)methyl]-1H-imidazol-5-yl}methyl)-2-methylpropanamide

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

V012-6572

Molecular Formula

C24H32FN3O4S (C24 H32 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(CC1CC1)Cc(n1CC2OCCC2)cnc1S(Cc(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C24H32FN3O4S/c1-17(2)23(29)27(13-18-5-6-18)14-21-12-26-24(28(21)15-22-4-3-11-32-22)33(30,31)16-19-7-9-20(25)10-8-19/h7-10,12,17-18,22H,3-6,11,13-16H2,1-2H3/t22-/m1/s1

InChI Key

KBKUNFOZZQKXTL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19819952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.6

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

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.12

Polar Surface Area

66.040

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

V012-6572 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-6572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6572?
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What is the minimum amount of V012-6572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6572
  • 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 V012-6572 available by request