V001-4658 Screening compound: N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

V001-4658 Screening compound: N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide
V001-4658 Screening compound: N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4658
N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

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

V001-4658

Molecular Formula

C28H34F3N3O2 (C28 H34 F3 N3 O2)

Compound Name

N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

IUPAC name

N-{3-[(2-ethylhexyl)oxy]propyl}-1-[2'-(trifluoromethyl)-[11'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide

SMILES

CCCCC(CC)COCCCNC(c1cncn1-c1cccc(-c2c(C(F)(F)F)cccc2)c1)=O

InChI

InChI=1S/C28H34F3N3O2/c1-3-5-10-21(4-2)19-36-16-9-15-33-27(35)26-18-32-20-34(26)23-12-8-11-22(17-23)24-13-6-7-14-25(24)28(29,30)31/h6-8,11-14,17-18,20-21H,3-5,9-10,15-16,19H2,1-2H3,(H,33,35)/t21-/m0/s1

InChI Key

KFUOXUZVVMGALM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19943144

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.624

Distribution Coefficient, logD

6.624

Water Solubility, LogSw

-5.91

Polar Surface Area

43.724

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V001-4658 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V001-4658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4658?
Check Price and Availability of V001-4658, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-4658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4658
  • 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 V001-4658 available by request