F718-0471 Screening compound: N~1~-(3-chlorobenzyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

F718-0471 Screening compound: N~1~-(3-chlorobenzyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
F718-0471 Screening compound: N~1~-(3-chlorobenzyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F718-0471
N~1~-(3-chlorobenzyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]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

F718-0471

Molecular Formula

C19H13ClFN3OS2 (C19 H13 ClFN3 OS2)

Compound Name

N~1~-(3-chlorobenzyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-({13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}sulfanyl)acetamide

SMILES

O=C(CSc1ncnc2c1sc1c2c(F)ccc1)NCc1cccc(Cl)c1

InChI

InChI=1S/C19H13ClFN3OS2/c20-12-4-1-3-11(7-12)8-22-15(25)9-26-19-18-17(23-10-24-19)16-13(21)5-2-6-14(16)27-18/h1-7,10H,8-9H2,(H,22,25)

InChI Key

ZJDVZSPAPUFVAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-5.22

Polar Surface Area

45.612

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F718-0471 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F718-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F718-0471?
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What is the minimum amount of F718-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F718-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F718-0471
  • 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 F718-0471 available by request