8013-0036 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine

8013-0036 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine
8013-0036 Screening compound: N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclohexan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0036
N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-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

8013-0036

Molecular Formula

C25H28Cl2N6 (C25 H28 Cl2 N6)

Compound Name

N-[2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1-[1-(4-methylphenyl)-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-(4-methylphenyl)-1H-1234-tetrazol-5-yl]cyclohexan-1-amine

SMILES

Cc1c(CCNC2(CCCCC2)c2nnnn2-c2ccc(C)cc2)c(ccc(Cl)c2Cl)c2[nH]1

InChI

InChI=1S/C25H28Cl2N6/c1-16-6-8-18(9-7-16)33-24(30-31-32-33)25(13-4-3-5-14-25)28-15-12-19-17(2)29-23-20(19)10-11-21(26)22(23)27/h6-11,28-29H,3-5,12-15H2,1-2H3

InChI Key

ZRBBXWPAAHHAGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.44

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

6.555

Distribution Coefficient, logD

6.554

Water Solubility, LogSw

-6.88

Polar Surface Area

61.165

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8013-0036 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0036
  • 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 8013-0036 available by request