8018-9493 Screening compound: (1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

8018-9493 Screening compound: (1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
8018-9493 Screening compound: (1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9493
(1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

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

8018-9493

Molecular Formula

C17H15N7 (C17 H15 N7)

Compound Name

(1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1E)-N1-[(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-1H-1234-tetrazole-15-diamine

SMILES

Cn1c(-c2ccccc2)c(/C=N/n2nnnc2N)c2c1cccc2

InChI

InChI=1S/C17H15N7/c1-23-15-10-6-5-9-13(15)14(11-19-24-17(18)20-21-22-24)16(23)12-7-3-2-4-8-12/h2-11H,1H3,(H2,18,20,22)

InChI Key

FFEAISGLWXLUNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.22

Polar Surface Area

70.839

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8018-9493 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9493?
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What is the minimum amount of 8018-9493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9493
  • 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 8018-9493 available by request