Y501-5247 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

Y501-5247 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide
Y501-5247 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5247
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

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

Y501-5247

Molecular Formula

C27H28ClN3S (C27 H28 ClN3 S)

Compound Name

2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

IUPAC name

2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-24-dimethylphenyl)-5H6H7H8H9H10H-cycloocta[b]pyridine-3-carbonitrile

SMILES

Cc(cc1C)c(CSc(cc2)ccc2Cl)cc1-c(c(CCCCCC1)c1nc1N)c1C#N

InChI

InChI=1S/C27H28ClN3S/c1-17-13-18(2)23(14-19(17)16-32-21-11-9-20(28)10-12-21)26-22-7-5-3-4-6-8-25(22)31-27(30)24(26)15-29/h9-14H,3-8,16H2,1-2H3,(H2,30,31)

InChI Key

RXJUJPNIVMTEDQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.06

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.938

Distribution Coefficient, logD

7.937

Water Solubility, LogSw

-6.98

Polar Surface Area

47.816

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y501-5247 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y501-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5247?
Check Price and Availability of Y501-5247, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5247
  • 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 Y501-5247 available by request