V025-9579 Screening compound: 7-[(2-cyanophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-hexahydro-2H-1,3-benzodioxole-5-carboxamide

V025-9579 Screening compound: 7-[(2-cyanophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-hexahydro-2H-1,3-benzodioxole-5-carboxamide
V025-9579 Screening compound: 7-[(2-cyanophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-hexahydro-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9579
7-[(2-cyanophenyl)methoxy]-5-[(2-fluorophenyl)methoxy]-2,2-dimethyl-N-(propan-2-yl)-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

V025-9579

Molecular Formula

C28H33FN2O5 (C28 H33 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC([C@](C[C@H]1OC(C)(C)O[C@@H]11)(CC1OCc(cccc1)c1C#N)OCc(cccc1)c1F)=O

InChI

InChI=1S/C28H33FN2O5/c1-18(2)31-26(32)28(34-17-21-11-7-8-12-22(21)29)13-23(25-24(14-28)35-27(3,4)36-25)33-16-20-10-6-5-9-19(20)15-30/h5-12,18,23-25H,13-14,16-17H2,1-4H3,(H,31,32)/t23?,24-,25+,28+/m0/s1

InChI Key

QNGZFZAITWLMMQ-XKMIWIHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.56

Polar Surface Area

69.118

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V025-9579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9579?
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What is the minimum amount of V025-9579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9579
  • 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 V025-9579 available by request