4513-0032 Screening compound: 2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate

4513-0032 Screening compound: 2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate
4513-0032 Screening compound: 2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0032
2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate

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

4513-0032

Molecular Formula

C17H26N3O2 (C17 H26 N3 O2)

Compound Name

2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate

IUPAC name

2-(trimethylazaniumyl)ethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate

SMILES

CC(Cc1c[nH]c2c1cccc2)NC(OCC[N+](C)(C)C)=O

InChI

InChI=1S/C17H25N3O2/c1-13(19-17(21)22-10-9-20(2,3)4)11-14-12-18-16-8-6-5-7-15(14)16/h5-8,12-13,18H,9-11H2,1-4H3/p+1/t13-/m0/s1

InChI Key

OXFVCJADQQBIHC-ZDUSSCGKSA-O

MDL Number (MFCD)

MFCD02227418

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-2.99

Polar Surface Area

42.178

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

4513-0032 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4513-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0032?
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What is the minimum amount of 4513-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0032
  • 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 4513-0032 available by request