V025-6837 Screening compound: 7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V025-6837 Screening compound: 7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V025-6837 Screening compound: 7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-6837
7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-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

V025-6837

Molecular Formula

C29H36N2O6 (C29 H36 N2 O6)

Compound Name

7-[(2-cyanophenyl)methoxy]-N-(2-methoxyethyl)-2,2-dimethyl-5-[(2-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

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

SMILES

CC(C)(O[C@@H]1C[C@](C2)(C(NCCOC)=O)OCc3c(C)cccc3)O[C@H]1C2OCc(cccc1)c1C#N

InChI

InChI=1S/C29H36N2O6/c1-20-9-5-6-11-22(20)19-35-29(27(32)31-13-14-33-4)15-24(26-25(16-29)36-28(2,3)37-26)34-18-23-12-8-7-10-21(23)17-30/h5-12,24-26H,13-16,18-19H2,1-4H3,(H,31,32)/t24?,25-,26+,29+/m0/s1

InChI Key

GDCDTBTVTVFOFA-OVPKUEOZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.42

Polar Surface Area

78.328

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.70

References: we are preparing a list of scientific research reports with V025-6837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-6837?
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What is the minimum amount of V025-6837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-6837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-6837
  • 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 V025-6837 available by request