8018-6361 Screening compound: 5-fluoro-2-methyl-3-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1H-indole

8018-6361 Screening compound: 5-fluoro-2-methyl-3-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1H-indole
8018-6361 Screening compound: 5-fluoro-2-methyl-3-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6361
5-fluoro-2-methyl-3-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1H-indole

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

8018-6361

Molecular Formula

C12H12FN5 (C12 H12 FN5)

Compound Name

5-fluoro-2-methyl-3-[2-(1H-1,2,3,4-tetrazol-1-yl)ethyl]-1H-indole

IUPAC name

5-fluoro-2-methyl-3-[2-(1H-1234-tetrazol-1-yl)ethyl]-1H-indole

SMILES

Cc1c(CCn2nnnc2)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C12H12FN5/c1-8-10(4-5-18-7-14-16-17-18)11-6-9(13)2-3-12(11)15-8/h2-3,6-7,15H,4-5H2,1H3

InChI Key

WJDCXLPMPLOACT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07801015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.41

Polar Surface Area

50.056

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-6361 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8018-6361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6361?
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What is the minimum amount of 8018-6361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6361
  • 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 8018-6361 available by request