Y041-5712 Screening compound: 2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y041-5712 Screening compound: 2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y041-5712 Screening compound: 2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5712
2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

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

Y041-5712

Molecular Formula

C19H17ClN6O2 (C19 H17 ClN6 O2)

Compound Name

2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1H-1234-tetrazol-1-yl)benzamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(c(cc(cc1)-n2nnnc2)c1Cl)=O

InChI

InChI=1S/C19H17ClN6O2/c1-28-14-3-5-18-15(9-14)12(10-22-18)6-7-21-19(27)16-8-13(2-4-17(16)20)26-11-23-24-25-26/h2-5,8-11,22H,6-7H2,1H3,(H,21,27)

InChI Key

HKVUFGDRXSAFKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22203091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.63

Polar Surface Area

81.673

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y041-5712 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 Y041-5712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5712?
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What is the minimum amount of Y041-5712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5712
  • 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 Y041-5712 available by request