L114-0253 Screening compound: 2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]acetamide

L114-0253 Screening compound: 2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]acetamide
L114-0253 Screening compound: 2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0253
2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]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

L114-0253

Molecular Formula

C20H17N3O3S2 (C20 H17 N3 O3 S2)

Compound Name

2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-[7-(4-methoxyphenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

COc(cc1)ccc1-c1csc2c1N=CN(CC(NCc1cccs1)=O)C2=O

InChI

InChI=1S/C20H17N3O3S2/c1-26-14-6-4-13(5-7-14)16-11-28-19-18(16)22-12-23(20(19)25)10-17(24)21-9-15-3-2-8-27-15/h2-8,11-12H,9-10H2,1H3,(H,21,24)

InChI Key

DGPBKDZJRFQCTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

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

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.63

Polar Surface Area

57.867

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L114-0253 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 L114-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0253?
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What is the minimum amount of L114-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0253
  • 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 L114-0253 available by request