8016-7618 Screening compound: 4-amino-3-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate

8016-7618 Screening compound: 4-amino-3-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate
8016-7618 Screening compound: 4-amino-3-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7618
4-amino-3-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate

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

8016-7618

Molecular Formula

C14H15N5O3 (C14 H15 N5 O3)

Compound Name

4-amino-3-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate

IUPAC name

4-amino-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]carbamoyl}-125-oxadiazol-2-ium-2-olate

SMILES

Cc1c(CCNC(c2[n+]([O-])onc2N)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C14H15N5O3/c1-8-9(10-4-2-3-5-11(10)17-8)6-7-16-14(20)12-13(15)18-22-19(12)21/h2-5,17H,6-7H2,1H3,(H2,15,18)(H,16,20)

InChI Key

SKRPYMYKSLTJTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.795

Distribution Coefficient, logD

0.795

Water Solubility, LogSw

-1.97

Polar Surface Area

95.377

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8016-7618 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-7618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7618?
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What is the minimum amount of 8016-7618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7618
  • 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 8016-7618 available by request