V003-6511 Screening compound: 2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide

V003-6511 Screening compound: 2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide
V003-6511 Screening compound: 2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6511
2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide

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

V003-6511

Molecular Formula

C30H26F4N4O3 (C30 H26 F4 N4 O3)

Compound Name

2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide

IUPAC name

2-[1-(4-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]-N-{4-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}acetamide

SMILES

O=C(CN(CC1OCCC1)C(c(cc1)ccc1F)=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C30H26F4N4O3/c31-23-12-8-21(9-13-23)28(40)37(17-25-7-4-16-41-25)19-27(39)36-29-35-26(20-5-2-1-3-6-20)18-38(29)24-14-10-22(11-15-24)30(32,33)34/h1-3,5-6,8-15,18,25H,4,7,16-17,19H2,(H,35,36,39)/t25-/m1/s1

InChI Key

CGFDELOTEXEOSR-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19826317

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

566.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.446

Water Solubility, LogSw

-5.70

Polar Surface Area

61.047

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

V003-6511 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6511?
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What is the minimum amount of V003-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6511
  • 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 V003-6511 available by request