V026-2010 Screening compound: 7-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V026-2010 Screening compound: 7-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(morpholin-4-yl)-5-{[3-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V026-2010 Screening compound: 7-[(3-chlorophenyl)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 V026-2010
7-[(3-chlorophenyl)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

V026-2010

Molecular Formula

C29H34ClF3N2O6 (C29 H34 ClF3 N2 O6)

Compound Name

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

IUPAC name

(3aR5R7aS)-7-[(3-chlorophenyl)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]1C2OCc1cccc(Cl)c1

InChI

InChI=1S/C29H34ClF3N2O6/c1-27(2)40-24-16-28(26(36)34-35-9-11-37-12-10-35,39-18-19-5-3-7-21(13-19)29(31,32)33)15-23(25(24)41-27)38-17-20-6-4-8-22(30)14-20/h3-8,13-14,23-25H,9-12,15-18H2,1-2H3,(H,34,36)/t23?,24-,25+,28-/m1/s1

InChI Key

BRVZPWXMEGXOED-UYZKLLHOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

599.05

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

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-5.22

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 V026-2010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2010?
Check Price and Availability of V026-2010, 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 V026-2010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2010
  • 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 V026-2010 available by request