V026-0797 Screening compound: 2,2-dimethyl-N-(propan-2-yl)-5,7-bis({[3-(trifluoromethyl)phenyl]methoxy})-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V026-0797 Screening compound: 2,2-dimethyl-N-(propan-2-yl)-5,7-bis({[3-(trifluoromethyl)phenyl]methoxy})-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V026-0797 Screening compound: 2,2-dimethyl-N-(propan-2-yl)-5,7-bis({[3-(trifluoromethyl)phenyl]methoxy})-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0797
2,2-dimethyl-N-(propan-2-yl)-5,7-bis({[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

V026-0797

Molecular Formula

C29H33F6NO5 (C29 H33 F6 NO5)

Compound Name

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

IUPAC name

(3aR5R7aS)-22-dimethyl-N-(propan-2-yl)-57-bis({[3-(trifluoromethyl)phenyl]methoxy})-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)NC([C@](C[C@H]1OC(C)(C)O[C@@H]11)(CC1OCc1cc(C(F)(F)F)ccc1)OCc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C29H33F6NO5/c1-17(2)36-25(37)27(39-16-19-8-6-10-21(12-19)29(33,34)35)13-22(24-23(14-27)40-26(3,4)41-24)38-15-18-7-5-9-20(11-18)28(30,31)32/h5-12,17,22-24H,13-16H2,1-4H3,(H,36,37)/t22?,23-,24+,27+/m0/s1

InChI Key

PLOZATUCTKIYQG-OICUMVQSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.461

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.81

Polar Surface Area

52.062

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.17

References: we are preparing a list of scientific research reports with V026-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0797?
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What is the minimum amount of V026-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0797
  • 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 V026-0797 available by request