Y500-1217 Screening compound: N,N-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide

Y500-1217 Screening compound: N,N-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide
Y500-1217 Screening compound: N,N-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-1217
N,N-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide

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

Y500-1217

Molecular Formula

C27H32N4O2S2 (C27 H32 N4 O2 S2)

Compound Name

N,N-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pentanediamide

IUPAC name

NN'-bis({3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl})pentanediamide

SMILES

N#Cc1c(NC(CCCC(Nc(sc2c3CCCCCC2)c3C#N)=O)=O)sc2c1CCCCCC2

InChI

InChI=1S/C27H32N4O2S2/c28-16-20-18-10-5-1-3-7-12-22(18)34-26(20)30-24(32)14-9-15-25(33)31-27-21(17-29)19-11-6-2-4-8-13-23(19)35-27/h1-15H2,(H,30,32)(H,31,33)

InChI Key

BANLJASBJNIEIE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-5.50

Polar Surface Area

80.470

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with Y500-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-1217?
Check Price and Availability of Y500-1217, 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 Y500-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-1217
  • 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 Y500-1217 available by request