V015-3998 Screening compound: 1-[(2,4-difluorobenzyl)(tetrahydro-2-furanylmethyl)amino]-3-(2-propynyloxy)-2-propanol

V015-3998 Screening compound: 1-[(2,4-difluorobenzyl)(tetrahydro-2-furanylmethyl)amino]-3-(2-propynyloxy)-2-propanol
V015-3998 Screening compound: 1-[(2,4-difluorobenzyl)(tetrahydro-2-furanylmethyl)amino]-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3998
1-[(2,4-difluorobenzyl)(tetrahydro-2-furanylmethyl)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

V015-3998

Molecular Formula

C18H23F2NO3 (C18 H23 F2 NO3)

Compound Name

1-[(2,4-difluorobenzyl)(tetrahydro-2-furanylmethyl)amino]-3-(2-propynyloxy)-2-propanol

IUPAC name

[(24-difluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(oxolan-2-yl)methyl]amine

SMILES

C#CCOCC(CN(CC1OCCC1)Cc(ccc(F)c1)c1F)O

InChI

InChI=1S/C18H23F2NO3/c1-2-7-23-13-16(22)11-21(12-17-4-3-8-24-17)10-14-5-6-15(19)9-18(14)20/h1,5-6,9,16-17,22H,3-4,7-8,10-13H2

InChI Key

JUPFJRSWWAVBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262769

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

339.38

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

2.068

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-2.20

Polar Surface Area

37.577

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

V015-3998 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V015-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3998?
Check Price and Availability of V015-3998, 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 V015-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3998
  • 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 V015-3998 available by request