E960-1200 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

E960-1200 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
E960-1200 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1200
1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

E960-1200

Molecular Formula

C23H20F4N4OS (C23 H20 F4 N4 OS)

Compound Name

1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn1nc(C)c(N=C(N2Cc(cc3)ccc3F)SCc3cc(C(F)(F)F)ccc3)c1C2=O

InChI

InChI=1S/C23H20F4N4OS/c1-3-31-20-19(14(2)29-31)28-22(30(21(20)32)12-15-7-9-18(24)10-8-15)33-13-16-5-4-6-17(11-16)23(25,26)27/h4-11H,3,12-13H2,1-2H3

InChI Key

DUWIXYYGYOLCMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-4.51

Polar Surface Area

37.438

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E960-1200 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E960-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1200?
Check Price and Availability of E960-1200, 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 E960-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1200
  • 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 E960-1200 available by request