F718-0512 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(4-methoxybenzyl)acetamide

F718-0512 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(4-methoxybenzyl)acetamide
F718-0512 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F718-0512
2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(4-methoxybenzyl)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

F718-0512

Molecular Formula

C20H16FN3O2S2 (C20 H16 FN3 O2 S2)

Compound Name

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

IUPAC name

2-({13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}sulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CSc(ncnc23)c2sc2c3c(F)ccc2)=O)cc1

InChI

InChI=1S/C20H16FN3O2S2/c1-26-13-7-5-12(6-8-13)9-22-16(25)10-27-20-19-18(23-11-24-20)17-14(21)3-2-4-15(17)28-19/h2-8,11H,9-10H2,1H3,(H,22,25)

InChI Key

LFBSVSSLHSDNOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.52

Polar Surface Area

53.156

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F718-0512 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F718-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F718-0512?
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What is the minimum amount of F718-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F718-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F718-0512
  • 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 F718-0512 available by request