V030-6832 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine

V030-6832 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine
V030-6832 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6832
[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine

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

V030-6832

Molecular Formula

C22H25NO5 (C22 H25 NO5)

Compound Name

[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(3-methoxyphenyl)methyl]amine

SMILES

COc1cccc(CN(CC(COCC#C)O)Cc(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C22H25NO5/c1-3-9-26-15-19(24)14-23(12-17-5-4-6-20(10-17)25-2)13-18-7-8-21-22(11-18)28-16-27-21/h1,4-8,10-11,19,24H,9,12-16H2,2H3/t19-/m0/s1

InChI Key

GHZLKJJMLZGCFM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19836795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.44

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

2.991

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.98

Polar Surface Area

53.582

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V030-6832 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-6832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6832?
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What is the minimum amount of V030-6832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6832
  • 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 V030-6832 available by request