F464-0445 Screening compound: 2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

F464-0445 Screening compound: 2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide
F464-0445 Screening compound: 2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0445
2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]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

F464-0445

Molecular Formula

C20H14F3N3O2S (C20 H14 F3 N3 O2 S)

Compound Name

2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{4-methyl-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CC(N(CC(Nc1c(C(F)(F)F)cccc1)=O)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C20H14F3N3O2S/c1-11-24-17-12-6-2-5-9-15(12)29-18(17)19(28)26(11)10-16(27)25-14-8-4-3-7-13(14)20(21,22)23/h2-9H,10H2,1H3,(H,25,27)

InChI Key

OSXXZYNWKHVTOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.20

Polar Surface Area

45.332

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with F464-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0445?
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What is the minimum amount of F464-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0445
  • 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 F464-0445 available by request