Y500-6377 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

Y500-6377 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Y500-6377 Screening compound: 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6377
2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

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

Y500-6377

Molecular Formula

C22H23ClN4O2S (C22 H23 ClN4 O2 S)

Compound Name

2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nnc(COc(cc2)ccc2Cl)n1CC=C)=O

InChI

InChI=1S/C22H23ClN4O2S/c1-4-11-27-20(13-29-18-8-6-17(23)7-9-18)25-26-22(27)30-14-21(28)24-19-10-5-15(2)12-16(19)3/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,28)

InChI Key

JBQFBMJBQHRNIX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.63

Polar Surface Area

55.146

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y500-6377 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 Y500-6377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6377?
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What is the minimum amount of Y500-6377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6377
  • 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 Y500-6377 available by request