V029-0640 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(2-methylphenyl)methyl]amine

V029-0640 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(2-methylphenyl)methyl]amine
V029-0640 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(2-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0640
[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(2-methylphenyl)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

V029-0640

Molecular Formula

C22H25NO4 (C22 H25 NO4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CC(COCC#C)O)Cc(cc2)cc3c2OCO3)cccc1

InChI

InChI=1S/C22H25NO4/c1-3-10-25-15-20(24)14-23(13-19-7-5-4-6-17(19)2)12-18-8-9-21-22(11-18)27-16-26-21/h1,4-9,11,20,24H,10,12-16H2,2H3/t20-/m0/s1

InChI Key

NPWVBHVGODBTPL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19841131

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.76

Polar Surface Area

46.038

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V029-0640 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 V029-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0640?
Check Price and Availability of V029-0640, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0640
  • 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 V029-0640 available by request