V014-4012 Screening compound: 1-{benzyl[(5-methyl-2-furyl)methyl]amino}-3-(2-propynyloxy)-2-propanol

V014-4012 Screening compound: 1-{benzyl[(5-methyl-2-furyl)methyl]amino}-3-(2-propynyloxy)-2-propanol
V014-4012 Screening compound: 1-{benzyl[(5-methyl-2-furyl)methyl]amino}-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4012
1-{benzyl[(5-methyl-2-furyl)methyl]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

V014-4012

Molecular Formula

C19H23NO3 (C19 H23 NO3)

Compound Name

1-{benzyl[(5-methyl-2-furyl)methyl]amino}-3-(2-propynyloxy)-2-propanol

IUPAC name

benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(5-methylfuran-2-yl)methyl]amine

SMILES

Cc1ccc(CN(CC(COCC#C)O)Cc2ccccc2)o1

InChI

InChI=1S/C19H23NO3/c1-3-11-22-15-18(21)13-20(12-17-7-5-4-6-8-17)14-19-10-9-16(2)23-19/h1,4-10,18,21H,11-15H2,2H3/t18-/m0/s1

InChI Key

JKDAVFLMYSLOOB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10453878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-2.85

Polar Surface Area

36.185

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

V014-4012 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 V014-4012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4012?
Check Price and Availability of V014-4012, 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 V014-4012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4012
  • 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 V014-4012 available by request