V013-9598 Screening compound: 1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol

V013-9598 Screening compound: 1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol
V013-9598 Screening compound: 1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9598
1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol

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

V013-9598

Molecular Formula

C18H24FNO2 (C18 H24 FNO2)

Compound Name

1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol

IUPAC name

1-{[(4-fluorophenyl)methyl][(5-methylfuran-2-yl)methyl]amino}pentan-2-ol

SMILES

CCCC(CN(Cc1ccc(C)o1)Cc(cc1)ccc1F)O

InChI

InChI=1S/C18H24FNO2/c1-3-4-17(21)12-20(13-18-10-5-14(2)22-18)11-15-6-8-16(19)9-7-15/h5-10,17,21H,3-4,11-13H2,1-2H3/t17-/m0/s1

InChI Key

HHGFSAWPPHMQQD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19836890

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

305.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.79

Polar Surface Area

27.832

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V013-9598 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V013-9598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9598?
Check Price and Availability of V013-9598, 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 V013-9598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9598
  • 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 V013-9598 available by request