Y600-0266 Screening compound: 2-[(5-benzhydryl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide

Y600-0266 Screening compound: 2-[(5-benzhydryl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Y600-0266 Screening compound: 2-[(5-benzhydryl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-0266
2-[(5-benzhydryl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)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

Y600-0266

Molecular Formula

C25H23BrN4OS (C25 H23 BrN4 OS)

Compound Name

2-[(5-benzhydryl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide

IUPAC name

N-(4-bromophenyl)-2-{[5-(diphenylmethyl)-4-ethyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCn1c(SCC(Nc(cc2)ccc2Br)=O)nnc1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H23BrN4OS/c1-2-30-24(23(18-9-5-3-6-10-18)19-11-7-4-8-12-19)28-29-25(30)32-17-22(31)27-21-15-13-20(26)14-16-21/h3-16,23H,2,17H2,1H3,(H,27,31)

InChI Key

XASQFQZODMLBBX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.081

Water Solubility, LogSw

-5.54

Polar Surface Area

46.843

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

Y600-0266 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 Y600-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-0266?
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What is the minimum amount of Y600-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-0266
  • 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 Y600-0266 available by request