Y043-8681 Screening compound: N~1~-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1,2,3,4-tetraazol-1-yl)benzamide

Y043-8681 Screening compound: N~1~-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1,2,3,4-tetraazol-1-yl)benzamide
Y043-8681 Screening compound: N~1~-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1,2,3,4-tetraazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8681
N~1~-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1,2,3,4-tetraazol-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

Y043-8681

Molecular Formula

C17H16ClN5OS (C17 H16 ClN5 OS)

Compound Name

N~1~-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1,2,3,4-tetraazol-1-yl)benzamide

IUPAC name

N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-(5-methyl-1H-1234-tetrazol-1-yl)benzamide

SMILES

Cc1nnnn1-c(cccc1)c1C(NCCSc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H16ClN5OS/c1-12-20-21-22-23(12)16-5-3-2-4-15(16)17(24)19-10-11-25-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,24)

InChI Key

XVKWLTFDPJGEDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.84

Polar Surface Area

64.309

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with Y043-8681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8681?
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What is the minimum amount of Y043-8681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8681
  • 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 Y043-8681 available by request