8016-7617 Screening compound: 4-amino-3-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate

8016-7617 Screening compound: 4-amino-3-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate
8016-7617 Screening compound: 4-amino-3-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7617
4-amino-3-({[2-(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

8016-7617

Molecular Formula

C13H13N5O3 (C13 H13 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Nc1no[n+]([O-])c1C(NCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C13H13N5O3/c14-12-11(18(20)21-17-12)13(19)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H2,14,17)(H,15,19)

InChI Key

NGORXEUQAYEDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.28

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

0.628

Distribution Coefficient, logD

0.628

Water Solubility, LogSw

-1.88

Polar Surface Area

95.322

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8016-7617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7617?
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What is the minimum amount of 8016-7617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7617
  • 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 8016-7617 available by request