L115-0198 Screening compound: tert-butyl 2-[7-(2,5-dimethylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetate

L115-0198 Screening compound: tert-butyl 2-[7-(2,5-dimethylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetate
L115-0198 Screening compound: tert-butyl 2-[7-(2,5-dimethylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L115-0198
tert-butyl 2-[7-(2,5-dimethylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetate

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

L115-0198

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

tert-butyl 2-[7-(2,5-dimethylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetate

IUPAC name

tert-butyl 2-[7-(25-dimethylphenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]acetate

SMILES

CC(C)(C)OC(CN(C=Nc1c2scc1-c1c(C)ccc(C)c1)C2=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-12-6-7-13(2)14(8-12)15-10-26-18-17(15)21-11-22(19(18)24)9-16(23)25-20(3,4)5/h6-8,10-11H,9H2,1-5H3

InChI Key

VRVYCZSWWDZPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.44

Polar Surface Area

44.373

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L115-0198 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 L115-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L115-0198?
Check Price and Availability of L115-0198, 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 L115-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L115-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L115-0198
  • 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 L115-0198 available by request