Y041-0698 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

Y041-0698 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide
Y041-0698 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0698
N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

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

Y041-0698

Molecular Formula

C19H24N6O (C19 H24 N6 O)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

(1r4r)-N-[2-(1H-indol-3-yl)ethyl]-4-[(1H-1234-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C([C@H]1CC[C@H](Cn2nnnc2)CC1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C19H24N6O/c26-19(15-7-5-14(6-8-15)12-25-13-22-23-24-25)20-10-9-16-11-21-18-4-2-1-3-17(16)18/h1-4,11,13-15,21H,5-10,12H2,(H,20,26)

InChI Key

RQMURJQDHQACDU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

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

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-2.88

Polar Surface Area

74.470

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

Y041-0698 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0698?
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What is the minimum amount of Y041-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0698
  • 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 Y041-0698 available by request