Y508-8859 Screening compound: 9-(tert-butyl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':5,6]pyrimido[2,1-a]isoindol-6(13H)-one

Y508-8859 Screening compound: 9-(tert-butyl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':5,6]pyrimido[2,1-a]isoindol-6(13H)-one
Y508-8859 Screening compound: 9-(tert-butyl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':5,6]pyrimido[2,1-a]isoindol-6(13H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-8859
9-(tert-butyl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':5,6]pyrimido[2,1-a]isoindol-6(13H)-one

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

Y508-8859

Molecular Formula

C21H22N2OS (C21 H22 N2 OS)

Compound Name

9-(tert-butyl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':5,6]pyrimido[2,1-a]isoindol-6(13H)-one

IUPAC name

n/a

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N=C1N3Cc4c1cccc4)=O)c3s2

InChI

InChI=1S/C21H22N2OS/c1-21(2,3)13-8-9-15-16(10-13)25-20-17(15)19(24)22-18-14-7-5-4-6-12(14)11-23(18)20/h4-7,13H,8-11H2,1-3H3/t13-/m1/s1

InChI Key

NRJXMJQLBQRULH-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.99

Polar Surface Area

25.547

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with Y508-8859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-8859?
Check Price and Availability of Y508-8859, 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 Y508-8859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-8859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-8859
  • 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 Y508-8859 available by request