L114-0237 Screening compound: ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate

L114-0237 Screening compound: ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate
L114-0237 Screening compound: ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0237
ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate

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

L114-0237

Molecular Formula

C24H21N3O4S (C24 H21 N3 O4 S)

Compound Name

ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[7-(4-methylphenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C=Nc1c2scc1-c1ccc(C)cc1)C2=O)=O)=O

InChI

InChI=1S/C24H21N3O4S/c1-3-31-24(30)17-8-10-18(11-9-17)26-20(28)12-27-14-25-21-19(13-32-22(21)23(27)29)16-6-4-15(2)5-7-16/h4-11,13-14H,3,12H2,1-2H3,(H,26,28)

InChI Key

ZUCKDPWOBNBTLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.55

Polar Surface Area

68.737

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L114-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0237?
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What is the minimum amount of L114-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0237
  • 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 L114-0237 available by request