V004-5154 Screening compound: 7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V004-5154 Screening compound: 7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V004-5154 Screening compound: 7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5154
7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-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

V004-5154

Molecular Formula

C29H34F4N2O6 (C29 H34 F4 N2 O6)

Compound Name

7-[(4-fluorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

(3aR5R7aS)-7-[(4-fluorophenyl)methoxy]-22-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)(O[C@@H]1C[C@](C2)(C(NN3CCOCC3)=O)OCc3cc(C(F)(F)F)ccc3)O[C@H]1C2OCc(cc1)ccc1F

InChI

InChI=1S/C29H34F4N2O6/c1-27(2)40-24-16-28(26(36)34-35-10-12-37-13-11-35,39-18-20-4-3-5-21(14-20)29(31,32)33)15-23(25(24)41-27)38-17-19-6-8-22(30)9-7-19/h3-9,14,23-25H,10-13,15-18H2,1-2H3,(H,34,36)/t23?,24-,25+,28-/m1/s1

InChI Key

AKWNUNUDGSLOEO-UYZKLLHOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.42

Polar Surface Area

65.365

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with V004-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5154?
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What is the minimum amount of V004-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5154
  • 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 V004-5154 available by request