V009-6381 Screening compound: 7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V009-6381 Screening compound: 7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V009-6381 Screening compound: 7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6381
7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]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

V009-6381

Molecular Formula

C31H39F3N2O5 (C31 H39 F3 N2 O5)

Compound Name

7-(benzyloxy)-2,2-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

(3aR5R7aS)-7-(benzyloxy)-22-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)(O[C@@H]1C[C@](C2)(C(NCCN3CCCC3)=O)OCc3cccc(C(F)(F)F)c3)O[C@H]1C2OCc1ccccc1

InChI

InChI=1S/C31H39F3N2O5/c1-29(2)40-26-19-30(28(37)35-13-16-36-14-6-7-15-36,39-21-23-11-8-12-24(17-23)31(32,33)34)18-25(27(26)41-29)38-20-22-9-4-3-5-10-22/h3-5,8-12,17,25-27H,6-7,13-16,18-21H2,1-2H3,(H,35,37)/t25?,26-,27+,30+/m0/s1

InChI Key

WYGJDEYUHXVZBL-BMIZCLJLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-5.36

Polar Surface Area

57.006

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

58.06

References: we are preparing a list of scientific research reports with V009-6381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6381?
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What is the minimum amount of V009-6381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6381
  • 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 V009-6381 available by request