V003-3241 Screening compound: 5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)-7-{[4-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V003-3241 Screening compound: 5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)-7-{[4-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V003-3241 Screening compound: 5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)-7-{[4-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3241
5-[(3-chlorophenyl)methoxy]-2,2-dimethyl-N-(2-methylpropyl)-7-{[4-(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

V003-3241

Molecular Formula

C29H35ClF3NO5 (C29 H35 ClF3 NO5)

Compound Name

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

IUPAC name

(3aR5R7aS)-5-[(3-chlorophenyl)methoxy]-22-dimethyl-N-(2-methylpropyl)-7-{[4-(trifluoromethyl)phenyl]methoxy}-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)CNC([C@](C[C@H]1OC(C)(C)O[C@@H]11)(CC1OCc1ccc(C(F)(F)F)cc1)OCc1cccc(Cl)c1)=O

InChI

InChI=1S/C29H35ClF3NO5/c1-18(2)15-34-26(35)28(37-17-20-6-5-7-22(30)12-20)13-23(25-24(14-28)38-27(3,4)39-25)36-16-19-8-10-21(11-9-19)29(31,32)33/h5-12,18,23-25H,13-17H2,1-4H3,(H,34,35)/t23?,24-,25+,28+/m0/s1

InChI Key

XCPPQLMVFMXWAO-XKMIWIHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.05

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

6.830

Distribution Coefficient, logD

6.830

Water Solubility, LogSw

-6.40

Polar Surface Area

53.088

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.20

V003-3241 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-3241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3241?
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What is the minimum amount of V003-3241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3241
  • 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 V003-3241 available by request