5321-4168 Screening compound: 5-(1H-indol-3-yl)-5-oxopentanoate

5321-4168 Screening compound: 5-(1H-indol-3-yl)-5-oxopentanoate
5321-4168 Screening compound: 5-(1H-indol-3-yl)-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5321-4168
5-(1H-indol-3-yl)-5-oxopentanoate

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

5321-4168

Molecular Formula

C13H12NO3 (C13 H12 NO3)

Compound Name

5-(1H-indol-3-yl)-5-oxopentanoate

IUPAC name

5-(1H-indol-3-yl)-5-oxopentanoate

SMILES

[O-]C(CCCC(c1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C13H13NO3/c15-12(6-3-7-13(16)17)10-8-14-11-5-2-1-4-9(10)11/h1-2,4-5,8,14H,3,6-7H2,(H,16,17)/p-1

InChI Key

ODUVLUWKHFDMEZ-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

230.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.58

Polar Surface Area

51.740

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

5321-4168 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5321-4168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5321-4168?
Check Price and Availability of 5321-4168, 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 5321-4168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5321-4168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5321-4168
  • 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 5321-4168 available by request