F086-0494 Screening compound: 4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid

F086-0494 Screening compound: 4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid
F086-0494 Screening compound: 4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F086-0494
4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid

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

F086-0494

Molecular Formula

C20H30N4O5 (C20 H30 N4 O5)

Compound Name

4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid

IUPAC name

4-(4-{[(3-methoxypropyl)carbamoyl]methyl}piperazin-1-yl)-3-propanamidobenzoic acid

SMILES

CCC(Nc(cc(cc1)C(O)=O)c1N1CCN(CC(NCCCOC)=O)CC1)=O

InChI

InChI=1S/C20H30N4O5/c1-3-18(25)22-16-13-15(20(27)28)5-6-17(16)24-10-8-23(9-11-24)14-19(26)21-7-4-12-29-2/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,21,26)(H,22,25)(H,27,28)

InChI Key

XVEPSNPRMOWODV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940409

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.389

Distribution Coefficient, logD

-0.506

Water Solubility, LogSw

-2.22

Polar Surface Area

90.717

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with F086-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F086-0494?
Check Price and Availability of F086-0494, 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 F086-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F086-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F086-0494
  • 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 F086-0494 available by request