Y041-7401 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)benzamide

Y041-7401 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)benzamide
Y041-7401 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7401
2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)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

Y041-7401

Molecular Formula

C16H13ClN8O (C16 H13 ClN8 O)

Compound Name

2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)benzamide

IUPAC name

2-chloro-5-(1H-1234-tetrazol-1-yl)-N-(2-{[124]triazolo[43-a]pyridin-3-yl}ethyl)benzamide

SMILES

O=C(c(cc(cc1)-n2nnnc2)c1Cl)NCCc1nnc2n1cccc2

InChI

InChI=1S/C16H13ClN8O/c17-13-5-4-11(25-10-19-22-23-25)9-12(13)16(26)18-7-6-15-21-20-14-3-1-2-8-24(14)15/h1-5,8-10H,6-7H2,(H,18,26)

InChI Key

NRLRBSSTKQJJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23138001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.911

Distribution Coefficient, logD

0.911

Water Solubility, LogSw

-2.96

Polar Surface Area

86.845

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y041-7401 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-7401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7401?
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What is the minimum amount of Y041-7401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7401
  • 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 Y041-7401 available by request