Y600-4629 Screening compound: 2-({[4-cyclohexyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3,5-dimethyl-4-pyridyl methyl ether

Y600-4629 Screening compound: 2-({[4-cyclohexyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3,5-dimethyl-4-pyridyl methyl ether
Y600-4629 Screening compound: 2-({[4-cyclohexyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3,5-dimethyl-4-pyridyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4629
2-({[4-cyclohexyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3,5-dimethyl-4-pyridyl methyl ether

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

Y600-4629

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

2-({[4-cyclohexyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3,5-dimethyl-4-pyridyl methyl ether

IUPAC name

2-({[4-cyclohexyl-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-4-methoxy-35-dimethylpyridine

SMILES

Cc1cnc(CSc2nnc(-c3cnccc3)n2C2CCCCC2)c(C)c1OC

InChI

InChI=1S/C22H27N5OS/c1-15-12-24-19(16(2)20(15)28-3)14-29-22-26-25-21(17-8-7-11-23-13-17)27(22)18-9-5-4-6-10-18/h7-8,11-13,18H,4-6,9-10,14H2,1-3H3

InChI Key

GWDQLZIFWRRBJC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.89

Polar Surface Area

52.184

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

Y600-4629 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 Y600-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4629?
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What is the minimum amount of Y600-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4629
  • 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 Y600-4629 available by request