E960-1381 Screening compound: 1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

E960-1381 Screening compound: 1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
E960-1381 Screening compound: 1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1381
1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)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

E960-1381

Molecular Formula

C20H19FN4OS2 (C20 H19 FN4 OS2)

Compound Name

1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

1-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-6-[(thiophen-2-yl)methyl]-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn1nc(C)c(N=C(N2Cc3cccs3)SCc3cc(F)ccc3)c1C2=O

InChI

InChI=1S/C20H19FN4OS2/c1-3-25-18-17(13(2)23-25)22-20(28-12-14-6-4-7-15(21)10-14)24(19(18)26)11-16-8-5-9-27-16/h4-10H,3,11-12H2,1-2H3

InChI Key

QNQKFLKAZPXGLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.87

Polar Surface Area

38.456

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E960-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1381?
Check Price and Availability of E960-1381, 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 E960-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1381
  • 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 E960-1381 available by request