V009-5777 Screening compound: 1-[(2-fluorobenzyl)(2-furylmethyl)amino]-3-(2-propynyloxy)-2-propanol

V009-5777 Screening compound: 1-[(2-fluorobenzyl)(2-furylmethyl)amino]-3-(2-propynyloxy)-2-propanol
V009-5777 Screening compound: 1-[(2-fluorobenzyl)(2-furylmethyl)amino]-3-(2-propynyloxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5777
1-[(2-fluorobenzyl)(2-furylmethyl)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

V009-5777

Molecular Formula

C18H20FNO3 (C18 H20 FNO3)

Compound Name

1-[(2-fluorobenzyl)(2-furylmethyl)amino]-3-(2-propynyloxy)-2-propanol

IUPAC name

[(2-fluorophenyl)methyl][(furan-2-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

SMILES

C#CCOCC(CN(Cc1ccco1)Cc(cccc1)c1F)O

InChI

InChI=1S/C18H20FNO3/c1-2-9-22-14-16(21)12-20(13-17-7-5-10-23-17)11-15-6-3-4-8-18(15)19/h1,3-8,10,16,21H,9,11-14H2/t16-/m0/s1

InChI Key

UXKPEIXTOAHIJD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10453369

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

317.36

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

2.766

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-2.72

Polar Surface Area

36.671

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V009-5777 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 V009-5777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5777?
Check Price and Availability of V009-5777, 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 V009-5777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5777
  • 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 V009-5777 available by request