V026-4661 Screening compound: N-ethyl-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V026-4661 Screening compound: N-ethyl-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V026-4661 Screening compound: N-ethyl-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4661
N-ethyl-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-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

V026-4661

Molecular Formula

C27H34FNO5 (C27 H34 FNO5)

Compound Name

N-ethyl-7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

(3aR5R7aS)-N-ethyl-7-[(4-fluorophenyl)methoxy]-22-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CCNC([C@](C[C@H]1OC(C)(C)O[C@@H]11)(CC1OCc(cc1)ccc1F)OCc1cc(C)ccc1)=O

InChI

InChI=1S/C27H34FNO5/c1-5-29-25(30)27(32-17-20-8-6-7-18(2)13-20)14-22(24-23(15-27)33-26(3,4)34-24)31-16-19-9-11-21(28)12-10-19/h6-13,22-24H,5,14-17H2,1-4H3,(H,29,30)/t22?,23-,24+,27-/m1/s1

InChI Key

BLFPECACBCKGIA-SGLZHPSQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.96

Polar Surface Area

52.714

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.90

V026-4661 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V026-4661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4661?
Check Price and Availability of V026-4661, 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 V026-4661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4661
  • 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 V026-4661 available by request