V010-0820 Screening compound: 1-[(4-methylbenzyl)(2-morpholinoethyl)amino]-3-(2-propynyloxy)-2-propanol

V010-0820 Screening compound: 1-[(4-methylbenzyl)(2-morpholinoethyl)amino]-3-(2-propynyloxy)-2-propanol
V010-0820 Screening compound: 1-[(4-methylbenzyl)(2-morpholinoethyl)amino]-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0820
1-[(4-methylbenzyl)(2-morpholinoethyl)amino]-3-(2-propynyloxy)-2-propanol

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

V010-0820

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

1-[(4-methylbenzyl)(2-morpholinoethyl)amino]-3-(2-propynyloxy)-2-propanol

IUPAC name

[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

SMILES

Cc1ccc(CN(CCN2CCOCC2)CC(COCC#C)O)cc1

InChI

InChI=1S/C20H30N2O3/c1-3-12-25-17-20(23)16-22(9-8-21-10-13-24-14-11-21)15-19-6-4-18(2)5-7-19/h1,4-7,20,23H,8-17H2,2H3/t20-/m0/s1

InChI Key

OCRZDTKOQPILQR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10453851

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-1.62

Polar Surface Area

40.792

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V010-0820 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V010-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0820?
Check Price and Availability of V010-0820, 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 V010-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0820
  • 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 V010-0820 available by request