V004-1645 Screening compound: 5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V004-1645 Screening compound: 5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V004-1645 Screening compound: 5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1645
5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)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

V004-1645

Molecular Formula

C28H33F4NO6 (C28 H33 F4 NO6)

Compound Name

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

IUPAC name

(3aR5R7aS)-5-[(2-fluorophenyl)methoxy]-22-dimethyl-N-(propan-2-yl)-7-{[3-(trifluoromethoxy)phenyl]methoxy}-hexahydro-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C)NC([C@](C[C@H]1OC(C)(C)O[C@@H]11)(CC1OCc1cc(OC(F)(F)F)ccc1)OCc(cccc1)c1F)=O

InChI

InChI=1S/C28H33F4NO6/c1-17(2)33-25(34)27(36-16-19-9-5-6-11-21(19)29)13-22(24-23(14-27)38-26(3,4)39-24)35-15-18-8-7-10-20(12-18)37-28(30,31)32/h5-12,17,22-24H,13-16H2,1-4H3,(H,33,34)/t22?,23-,24+,27+/m0/s1

InChI Key

UFPWWGILRLQIEK-OICUMVQSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.152

Distribution Coefficient, logD

6.152

Water Solubility, LogSw

-5.55

Polar Surface Area

57.999

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

53.57

References: we are preparing a list of scientific research reports with V004-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1645?
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What is the minimum amount of V004-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1645
  • 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 V004-1645 available by request