L114-0063 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide

L114-0063 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide
L114-0063 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L114-0063
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

L114-0063

Molecular Formula

C21H13ClF3N3O2S (C21 H13 ClF3 N3 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-oxo-7-phenyl-3H4H-thieno[32-d]pyrimidin-3-yl}acetamide

SMILES

O=C(CN(C=Nc1c2scc1-c1ccccc1)C2=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C21H13ClF3N3O2S/c22-15-7-6-13(21(23,24)25)8-16(15)27-17(29)9-28-11-26-18-14(10-31-19(18)20(28)30)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,27,29)

InChI Key

HIPUEHKGTOHQCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.87

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

4.872

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-5.09

Polar Surface Area

47.285

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L114-0063 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L114-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L114-0063?
Check Price and Availability of L114-0063, 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 L114-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L114-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L114-0063
  • 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 L114-0063 available by request