V026-4879 Screening compound: 3-(benzyloxy)-4,5-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide

V026-4879 Screening compound: 3-(benzyloxy)-4,5-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide
V026-4879 Screening compound: 3-(benzyloxy)-4,5-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4879
3-(benzyloxy)-4,5-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-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

V026-4879

Molecular Formula

C27H32F3NO6 (C27 H32 F3 NO6)

Compound Name

3-(benzyloxy)-4,5-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide

IUPAC name

(1S4R5R)-3-(benzyloxy)-45-dihydroxy-N-[(oxolan-2-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methoxy}cyclohexane-1-carboxamide

SMILES

O[C@H](C[C@](CC1OCc2ccccc2)(C(NCC2OCCC2)=O)OCc2cccc(C(F)(F)F)c2)[C@H]1O

InChI

InChI=1S/C27H32F3NO6/c28-27(29,30)20-9-4-8-19(12-20)17-37-26(25(34)31-15-21-10-5-11-35-21)13-22(32)24(33)23(14-26)36-16-18-6-2-1-3-7-18/h1-4,6-9,12,21-24,32-33H,5,10-11,13-17H2,(H,31,34)/t21?,22-,23?,24-,26-/m0/s1

InChI Key

AZSQZOSEYNRZRN-ILKQTMMNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.35

Polar Surface Area

77.466

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

51.90

V026-4879 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V026-4879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4879?
Check Price and Availability of V026-4879, 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 V026-4879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4879
  • 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 V026-4879 available by request