V018-3046 Screening compound: N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide

V018-3046 Screening compound: N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide
V018-3046 Screening compound: N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3046
N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide

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

V018-3046

Molecular Formula

C32H35FN2O (C32 H35 FN2 O)

Compound Name

N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide

IUPAC name

N-benzyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-hexylbenzamide

SMILES

CCCCCCc(cc1)ccc1C(N(Cc1cccn1Cc(cc1)ccc1F)Cc1ccccc1)=O

InChI

InChI=1S/C32H35FN2O/c1-2-3-4-6-10-26-14-18-29(19-15-26)32(36)35(24-27-11-7-5-8-12-27)25-31-13-9-22-34(31)23-28-16-20-30(33)21-17-28/h5,7-9,11-22H,2-4,6,10,23-25H2,1H3

InChI Key

HSAMNGNCZNJGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.64

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.946

Distribution Coefficient, logD

7.946

Water Solubility, LogSw

-5.73

Polar Surface Area

18.248

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V018-3046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3046?
Check Price and Availability of V018-3046, 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 V018-3046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3046
  • 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 V018-3046 available by request