L114-0460 Screening compound: 2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide

L114-0460 Screening compound: 2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide
L114-0460 Screening compound: 2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0460
2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide

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

L114-0460

Molecular Formula

C26H18FN3O3S (C26 H18 FN3 O3 S)

Compound Name

2-[7-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide

IUPAC name

2-[7-(4-fluorophenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide

SMILES

O=C(CN(C=Nc1c2scc1-c(cc1)ccc1F)C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C26H18FN3O3S/c27-18-8-6-17(7-9-18)22-15-34-25-24(22)28-16-30(26(25)32)14-23(31)29-19-10-12-21(13-11-19)33-20-4-2-1-3-5-20/h1-13,15-16H,14H2,(H,29,31)

InChI Key

ZSOHYVAQPQRTLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

5.471

Water Solubility, LogSw

-5.82

Polar Surface Area

54.731

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

L114-0460 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 L114-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0460?
Check Price and Availability of L114-0460, 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 L114-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0460
  • 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 L114-0460 available by request