V004-8901 Screening compound: 7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V004-8901 Screening compound: 7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V004-8901 Screening compound: 7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8901
7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-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

V004-8901

Molecular Formula

C30H39ClN2O6 (C30 H39 ClN2 O6)

Compound Name

7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

(3aR5R7aS)-7-(benzyloxy)-5-[(3-chlorophenyl)methoxy]-22-dimethyl-N-[2-(morpholin-4-yl)ethyl]-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)(O[C@@H]1C[C@](C2)(C(NCCN3CCOCC3)=O)OCc3cccc(Cl)c3)O[C@H]1C2OCc1ccccc1

InChI

InChI=1S/C30H39ClN2O6/c1-29(2)38-26-19-30(37-21-23-9-6-10-24(31)17-23,28(34)32-11-12-33-13-15-35-16-14-33)18-25(27(26)39-29)36-20-22-7-4-3-5-8-22/h3-10,17,25-27H,11-16,18-21H2,1-2H3,(H,32,34)/t25?,26-,27+,30+/m0/s1

InChI Key

BTFDCJKMHRDAED-BMIZCLJLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-4.49

Polar Surface Area

64.549

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

56.70

References: we are preparing a list of scientific research reports with V004-8901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8901?
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What is the minimum amount of V004-8901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8901
  • 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 V004-8901 available by request