L681-0281 Screening compound: 6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

L681-0281 Screening compound: 6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
L681-0281 Screening compound: 6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L681-0281
6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

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

L681-0281

Molecular Formula

C25H24F2N6O3 (C25 H24 F2 N6 O3)

Compound Name

6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

6-[(4-fluorophenyl)methyl]-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H4H5H6H7H-pyrazolo[43-d]pyrimidine-57-dione

SMILES

Cn(cc1N(CC(N(CC2)CCN2c(cc2)ccc2F)=O)C(N2Cc(cc3)ccc3F)=O)nc1C2=O

InChI

InChI=1S/C25H24F2N6O3/c1-29-15-21-23(28-29)24(35)33(14-17-2-4-18(26)5-3-17)25(36)32(21)16-22(34)31-12-10-30(11-13-31)20-8-6-19(27)7-9-20/h2-9,15H,10-14,16H2,1H3

InChI Key

MUNXJFWKNXUTOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.43

Polar Surface Area

66.366

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L681-0281 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L681-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L681-0281?
Check Price and Availability of L681-0281, 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 L681-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L681-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L681-0281
  • 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 L681-0281 available by request