8013-1354 Screening compound: N-[2-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine

8013-1354 Screening compound: N-[2-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine
8013-1354 Screening compound: N-[2-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1354
N-[2-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methoxyphenyl)-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

8013-1354

Molecular Formula

C25H28Cl2N6O (C25 H28 Cl2 N6 O)

Compound Name

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

IUPAC name

N-[2-(47-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]cyclohexan-1-amine

SMILES

Cc([nH]c1c(cc2)Cl)c(CCNC3(CCCCC3)c3nnnn3-c(cc3)ccc3OC)c1c2Cl

InChI

InChI=1S/C25H28Cl2N6O/c1-16-19(22-20(26)10-11-21(27)23(22)29-16)12-15-28-25(13-4-3-5-14-25)24-30-31-32-33(24)17-6-8-18(34-2)9-7-17/h6-11,28-29H,3-5,12-15H2,1-2H3

InChI Key

ILKRDHDYNQFUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.905

Distribution Coefficient, logD

5.904

Water Solubility, LogSw

-6.13

Polar Surface Area

68.709

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8013-1354 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1354
  • 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 8013-1354 available by request