E542-2336 Screening compound: ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate

E542-2336 Screening compound: ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate
E542-2336 Screening compound: ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-2336
ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate

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

E542-2336

Molecular Formula

C26H30FN3O3 (C26 H30 FN3 O3)

Compound Name

ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(3-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}propanamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CCc1cn(Cc(cccc2)c2F)c2c1cccc2)=O)=O

InChI

InChI=1S/C26H30FN3O3/c1-2-33-26(32)29-15-13-21(14-16-29)28-25(31)12-11-19-17-30(24-10-6-4-8-22(19)24)18-20-7-3-5-9-23(20)27/h3-10,17,21H,2,11-16,18H2,1H3,(H,28,31)

InChI Key

QZQUGFAMBKXRCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-3.94

Polar Surface Area

48.676

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E542-2336 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E542-2336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-2336?
Check Price and Availability of E542-2336, 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 E542-2336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-2336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-2336
  • 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 E542-2336 available by request