E960-1136 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

E960-1136 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
E960-1136 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1136
6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-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

E960-1136

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

6-[(2H-13-benzodioxol-5-yl)methyl]-5-(benzylsulfanyl)-1-ethyl-3-methyl-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn1nc(C)c(N=C(N2Cc(cc3)cc4c3OCO4)SCc3ccccc3)c1C2=O

InChI

InChI=1S/C23H22N4O3S/c1-3-27-21-20(15(2)25-27)24-23(31-13-16-7-5-4-6-8-16)26(22(21)28)12-17-9-10-18-19(11-17)30-14-29-18/h4-11H,3,12-14H2,1-2H3

InChI Key

LTAQUUVROMPVDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.75

Polar Surface Area

54.553

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E960-1136 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with E960-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1136?
Check Price and Availability of E960-1136, 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 E960-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1136
  • 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 E960-1136 available by request