L114-0004 Screening compound: N-benzyl-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide

L114-0004 Screening compound: N-benzyl-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide
L114-0004 Screening compound: N-benzyl-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0004
N-benzyl-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}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

L114-0004

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

N-benzyl-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide

IUPAC name

N-benzyl-2-{4-oxo-7-phenyl-3H4H-thieno[32-d]pyrimidin-3-yl}acetamide

SMILES

O=C(CN(C=Nc1c2scc1-c1ccccc1)C2=O)NCc1ccccc1

InChI

InChI=1S/C21H17N3O2S/c25-18(22-11-15-7-3-1-4-8-15)12-24-14-23-19-17(13-27-20(19)21(24)26)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,25)

InChI Key

TXEYJOFOFIEUFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.57

Polar Surface Area

49.305

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L114-0004 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L114-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0004?
Check Price and Availability of L114-0004, 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 L114-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0004
  • 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 L114-0004 available by request