L114-0492 Screening compound: 7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

L114-0492 Screening compound: 7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
L114-0492 Screening compound: 7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0492
7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

L114-0492

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

7-(4-chlorophenyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CN(C=Nc1c2scc1-c(cc1)ccc1Cl)C2=O)N1CCCC1

InChI

InChI=1S/C18H16ClN3O2S/c19-13-5-3-12(4-6-13)14-10-25-17-16(14)20-11-22(18(17)24)9-15(23)21-7-1-2-8-21/h3-6,10-11H,1-2,7-9H2

InChI Key

AXVSKZQVCLREME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.75

Polar Surface Area

41.592

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L114-0492 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L114-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0492?
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What is the minimum amount of L114-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0492
  • 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 L114-0492 available by request