F464-0456 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

F464-0456 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
F464-0456 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F464-0456
N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-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

F464-0456

Molecular Formula

C20H13ClF3N3O2S (C20 H13 ClF3 N3 O2 S)

Compound Name

N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

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

SMILES

CC(N(CC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C20H13ClF3N3O2S/c1-10-25-17-12-4-2-3-5-15(12)30-18(17)19(29)27(10)9-16(28)26-14-8-11(20(22,23)24)6-7-13(14)21/h2-8H,9H2,1H3,(H,26,28)

InChI Key

CIVGEGWIFAUTFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.86

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

4.757

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.93

Polar Surface Area

45.332

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F464-0456 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F464-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F464-0456?
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What is the minimum amount of F464-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F464-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F464-0456
  • 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 F464-0456 available by request