L114-0022 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

L114-0022 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
L114-0022 Screening compound: 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0022
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-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

L114-0022

Molecular Formula

C24H21FN4O2S (C24 H21 FN4 O2 S)

Compound Name

3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CN(C=Nc1c2scc1-c1ccccc1)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C24H21FN4O2S/c25-18-6-8-19(9-7-18)27-10-12-28(13-11-27)21(30)14-29-16-26-22-20(15-32-23(22)24(29)31)17-4-2-1-3-5-17/h1-9,15-16H,10-14H2

InChI Key

XGRDBWSURAVSEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.71

Polar Surface Area

44.486

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L114-0022 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L114-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0022?
Check Price and Availability of L114-0022, 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 L114-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0022
  • 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 L114-0022 available by request