8013-0097 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine

8013-0097 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine
8013-0097 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0097
N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine

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

8013-0097

Molecular Formula

C26H30Cl2N6 (C26 H30 Cl2 N6)

Compound Name

N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine

IUPAC name

N-[2-(67-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]cyclohexan-1-amine

SMILES

Cc1c(CCNC2(CCCCC2)c2nnnn2-c2c(C)cccc2C)c(ccc(Cl)c2Cl)c2[nH]1

InChI

InChI=1S/C26H30Cl2N6/c1-16-8-7-9-17(2)24(16)34-25(31-32-33-34)26(13-5-4-6-14-26)29-15-12-19-18(3)30-23-20(19)10-11-21(27)22(23)28/h7-11,29-30H,4-6,12-15H2,1-3H3

InChI Key

ALJOEICLPACAFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.841

Distribution Coefficient, logD

6.818

Water Solubility, LogSw

-7.01

Polar Surface Area

60.564

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

8013-0097 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8013-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0097?
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What is the minimum amount of 8013-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0097
  • 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 8013-0097 available by request