T619-4101 Screening compound: 1H-INDOL-3-YL{2-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINO}METHANONE

T619-4101 Screening compound: 1H-INDOL-3-YL{2-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINO}METHANONE
T619-4101 Screening compound: 1H-INDOL-3-YL{2-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINO}METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-4101
1H-INDOL-3-YL{2-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINO}METHANONE

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

T619-4101

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

1H-INDOL-3-YL{2-[3-(METHOXYMETHYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINO}METHANONE

IUPAC name

n/a

SMILES

COCc1noc(C(CCCC2)N2C(c2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C18H20N4O3/c1-24-11-16-20-17(25-21-16)15-8-4-5-9-22(15)18(23)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,10,15,19H,4-5,8-9,11H2,1H3/t15-/m0/s1

InChI Key

ITHQSNIWSXNRCP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29027893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.01

Polar Surface Area

67.543

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

T619-4101 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T619-4101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-4101?
Check Price and Availability of T619-4101, 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 T619-4101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-4101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-4101
  • 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 T619-4101 available by request