F718-0677 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-methylbenzyl)acetamide

F718-0677 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-methylbenzyl)acetamide
F718-0677 Screening compound: 2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F718-0677
2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-methylbenzyl)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

F718-0677

Molecular Formula

C20H16FN3OS2 (C20 H16 FN3 OS2)

Compound Name

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

SMILES

Cc1c(CNC(CSc(ncnc23)c2sc2c3c(F)ccc2)=O)cccc1

InChI

InChI=1S/C20H16FN3OS2/c1-12-5-2-3-6-13(12)9-22-16(25)10-26-20-19-18(23-11-24-20)17-14(21)7-4-8-15(17)27-19/h2-8,11H,9-10H2,1H3,(H,22,25)

InChI Key

HNZDQLKETJSHAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

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

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.14

Polar Surface Area

45.612

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F718-0677 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F718-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F718-0677?
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What is the minimum amount of F718-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F718-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F718-0677
  • 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 F718-0677 available by request