V023-5018 Screening compound: 7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V023-5018 Screening compound: 7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V023-5018 Screening compound: 7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-methylphenyl)methoxy]-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5018
7-(benzyloxy)-N-cyclopropyl-2,2-dimethyl-5-[(3-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

V023-5018

Molecular Formula

C28H35NO5 (C28 H35 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(O[C@@H]1C[C@](C2)(C(NC3CC3)=O)OCc3cc(C)ccc3)O[C@H]1C2OCc1ccccc1

InChI

InChI=1S/C28H35NO5/c1-19-8-7-11-21(14-19)18-32-28(26(30)29-22-12-13-22)15-23(31-17-20-9-5-4-6-10-20)25-24(16-28)33-27(2,3)34-25/h4-11,14,22-25H,12-13,15-18H2,1-3H3,(H,29,30)/t23?,24-,25+,28+/m0/s1

InChI Key

KUWGFMIZSCQEGE-XKMIWIHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.45

Polar Surface Area

52.873

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with V023-5018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5018?
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What is the minimum amount of V023-5018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5018
  • 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 V023-5018 available by request